Geometry & MOs

Info

ID:

116703

PubChem CID:

50572080

Reduced:

Cl2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

625.303097

ΔHf, kcal/mol:

-148.46

Dipole, Da:

7.63

IP(EA), eV:

 -8.67(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[2-methoxy-5-(3-methylpiperidine-1-carbonyl)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=C4C)Cl)Cl

DOS

IR

Vibrations