Geometry & MOs

Info

ID:

112011

PubChem CID:

50391989

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-236.15

Dipole, Da:

3.46

IP(EA), eV:

 -8.7(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-chloroanilino)-1-oxopropan-2-yl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations