Geometry & MOs

Info

ID:

109243

PubChem CID:

50277936

Reduced:

O4N5C37H47 (1)

Stoich.:

A4B5C37D47 (1)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-152.22

Dipole, Da:

6.59

IP(EA), eV:

 -8.73(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC(C)C4=CC=CC=C4)C

DOS

IR

Vibrations