Geometry & MOs

Info

ID:

111374

PubChem CID:

50363600

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-214.72

Dipole, Da:

8.3

IP(EA), eV:

 -8.62(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations