Geometry & MOs

Info

ID:

102781

PubChem CID:

50069717

Reduced:

BrO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

758.27913

ΔHf, kcal/mol:

-183.18

Dipole, Da:

13.87

IP(EA), eV:

 -8.44(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)NC(C)C

DOS

IR

Vibrations