Geometry & MOs

Info

ID:

116702

PubChem CID:

50572079

Reduced:

Cl2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

637.22226

ΔHf, kcal/mol:

-140.81

Dipole, Da:

5.16

IP(EA), eV:

 -8.83(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[3-chloro-4-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)Cl

DOS

IR

Vibrations