Geometry & MOs

Info

ID:	425909
PubChem CID:	135130462
Reduced:	O6C17H30 (1)
Stoich.:	A6B17C30 (1)
Weight, g/mol:	588.195011
ΔH_f, kcal/mol:	-318.86
Dipole, Da:	1.0
IP(EA), eV:	-9.86(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-22-oxa-6-azahexacyclo[15.4.1.05,21.07,20.010,19.013,18]docosa-1,3,5(21),7(20),8,10(19),11,13(18),14,16-decaene

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

CCOC(=O)CC(C)OC1C([C@H](C(C(O1)COC(=O)C)C)C)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

CCOC(=O)CC(C)OC1C([C@H](C(C(O1)COC(=O)C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):