Geometry & MOs

Info

ID:	393226
PubChem CID:	135019778
Reduced:	NO15C22H33 (1)
Stoich.:	AB15C22D33 (1)
Weight, g/mol:	767.2613
ΔH_f, kcal/mol:	-660.37
Dipole, Da:	3.91
IP(EA), eV:	-10.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-trityl-18-azaheptadecacyclo[11.8.7.73,5.39,26.315,20.111,28.016,20.07,37.022,33.023,42.024,40.025,34.027,35.029,31.030,39.032,38.036,41]dotetraconta-3(42),4,7(37),8,11(29),12,14,22(33),23,25,27,30,32(38),34,36(41),39-hexadecaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCCOCCNC(=O)COCC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCCOCCNC(=O)COCC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):