Geometry & MOs

Info

ID:

111550

PubChem CID:

50372141

Reduced:

SO4N7C32H47 (1)

Stoich.:

AB4C7D32E47 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-159.4

Dipole, Da:

7.35

IP(EA), eV:

 -9.12(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=NN=C(S3)C(C)C)C(=O)NC4CCCC4

DOS

IR

Vibrations