Geometry & MOs

Info

ID:

102641

PubChem CID:

50068761

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-229.44

Dipole, Da:

9.05

IP(EA), eV:

 -8.5(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-methylbenzoyl)amino]phenyl]-1-[1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C)F

DOS

IR

Vibrations