Geometry & MOs

Info

ID:

170964

PubChem CID:

75307044

Reduced:

SN4O9C41H50 (1)

Stoich.:

AB4C9D41E50 (1)

Weight, g/mol:

1043.577717

ΔHf, kcal/mol:

-225.59

Dipole, Da:

10.32

IP(EA), eV:

 -9.13(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-2-(3-aminopropyl)-5-benzyl-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,19,23-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-14-carboxamide

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4CN3C(=O)C(NC(=O)OCC(COC5=CC=CC(=C5)C6=CC7=CC=CC=C7C=C6O4)C)C(C)(C)C

DOS

IR

Vibrations