Geometry & MOs

Info

ID:

113018

PubChem CID:

50429044

Reduced:

N3O3C21H23 (2)

Stoich.:

A3B3C21D23 (2)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-179.58

Dipole, Da:

4.06

IP(EA), eV:

 -8.18(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methoxy-4-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations