Geometry & MOs

Info

ID:

446820

PubChem CID:

135277994

Reduced:

N3O5C25H49 (1)

Stoich.:

A3B5C25D49 (1)

Weight, g/mol:

766.416631

ΔHf, kcal/mol:

-303.85

Dipole, Da:

1.98

IP(EA), eV:

 -9.15(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-8-N-[5-[[6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoylamino]methyl]pyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(C)C)NC

DOS

IR

Vibrations