Geometry & MOs

Info

ID:

94264

PubChem CID:

49999318

Reduced:

FO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-222.05

Dipole, Da:

8.55

IP(EA), eV:

 -8.8(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations