Geometry & MOs

Info

ID:

102404

PubChem CID:

50066970

Reduced:

F4O5N6H38C40 (1)

Stoich.:

A4B5C6D38E40 (1)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-306.2

Dipole, Da:

6.86

IP(EA), eV:

 -8.81(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(3-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations