Geometry & MOs

Info

ID:

111447

PubChem CID:

50368198

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-249.37

Dipole, Da:

6.2

IP(EA), eV:

 -8.82(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-1-[1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations