Geometry & MOs

Info

ID:

95698

PubChem CID:

50012694

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-214.61

Dipole, Da:

5.86

IP(EA), eV:

 -8.46(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)C

DOS

IR

Vibrations