Geometry & MOs

Info

ID:

92174

PubChem CID:

49983794

Reduced:

O5N6C41H52 (1)

Stoich.:

A5B6C41D52 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-197.61

Dipole, Da:

1.74

IP(EA), eV:

 -8.18(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C)C

DOS

IR

Vibrations