Geometry & MOs

Info

ID:

114723

PubChem CID:

50494001

Reduced:

F2N6O6C41H44 (1)

Stoich.:

A2B6C6D41E44 (1)

Weight, g/mol:

752.313389

ΔHf, kcal/mol:

-278.02

Dipole, Da:

13.15

IP(EA), eV:

 -8.41(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorobenzoyl)amino]-4-methoxyphenyl]-1-[1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F)OC

DOS

IR

Vibrations