Geometry & MOs

Info

ID:

107488

PubChem CID:

50205153

Reduced:

N5O5C37H49 (1)

Stoich.:

A5B5C37D49 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-213.94

Dipole, Da:

4.8

IP(EA), eV:

 -8.98(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)C)C

DOS

IR

Vibrations