Geometry & MOs

Info

ID:

111367

PubChem CID:

50363415

Reduced:

F2O5N6C38H42 (1)

Stoich.:

A2B5C6D38E42 (1)

Weight, g/mol:

700.318475

ΔHf, kcal/mol:

-257.67

Dipole, Da:

4.04

IP(EA), eV:

 -8.79(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(3-fluorobenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F)C(=O)N6CCCC6

DOS

IR

Vibrations