Geometry & MOs

Info

ID:

113567

PubChem CID:

50451343

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-277.68

Dipole, Da:

6.24

IP(EA), eV:

 -8.71(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorobenzoyl)amino]-4-methylphenyl]-1-[1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations