Geometry & MOs

Info

ID:

117496

PubChem CID:

50605141

Reduced:

ClO4N5C29H30 (1)

Stoich.:

AB4C5D29E30 (1)

Weight, g/mol:

629.25356

ΔHf, kcal/mol:

-125.93

Dipole, Da:

6.88

IP(EA), eV:

 -8.81(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclopentylcarbamoyl)phenyl]-1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations