Geometry & MOs

Info

ID:	178994
PubChem CID:	76415337
Reduced:	NO7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	1205.633912
ΔH_f, kcal/mol:	-308.55
Dipole, Da:	5.78
IP(EA), eV:	-9.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,23-bis(2-amino-2-oxoethyl)-8-[3-(diaminomethylideneamino)propyl]-20-(1H-imidazol-5-ylmethyl)-14-methyl-17,26-bis(2-methylpropyl)-11-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,35-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclopentatriacont-5-yl]propanoic acid

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)C1=CC(=CC=C1)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O

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)C1=CC(=CC=C1)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):