Geometry & MOs

Info

ID:

95417

PubChem CID:

50009192

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-213.18

Dipole, Da:

10.45

IP(EA), eV:

 -8.51(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations