Geometry & MOs

Info

ID:

109751

PubChem CID:

50296231

Reduced:

ClO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-125.07

Dipole, Da:

2.82

IP(EA), eV:

 -8.75(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5)C

DOS

IR

Vibrations