Geometry & MOs

Info

ID:

103234

PubChem CID:

50071346

Reduced:

N6O6C43H48 (1)

Stoich.:

A6B6C43D48 (1)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-180.3

Dipole, Da:

6.76

IP(EA), eV:

 -8.12(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorobenzoyl)amino]-4-methoxyphenyl]-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)OC)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations