Geometry & MOs

Info

ID:

190546

PubChem CID:

78019515

Reduced:

N6O7C45H60 (1)

Stoich.:

A6B7C45D60 (1)

Weight, g/mol:

745.416297

ΔHf, kcal/mol:

-289.04

Dipole, Da:

11.57

IP(EA), eV:

 -8.8(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[[2-[(4-acetyl-3-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-cyclohexylacetyl]amino]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-9,9-dimethyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodecane-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3CCCC4C3N2C(=O)C(C4(C)C)NC(=O)C(C5CCCCC5)NC(=O)C6=C(C(=C(N6)C)C(=O)C)C7=CC=CC=C7

DOS

IR

Vibrations