Geometry & MOs

Info

ID:

93939

PubChem CID:

49997733

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-222.09

Dipole, Da:

11.93

IP(EA), eV:

 -9.2(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-chloro-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations