Geometry & MOs

Info

ID:

114420

PubChem CID:

50482097

Reduced:

F3O5N6C40H45 (1)

Stoich.:

A3B5C6D40E45 (1)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-315.02

Dipole, Da:

3.0

IP(EA), eV:

 -8.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(4-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F)C(=O)NC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations