Geometry & MOs

Info

ID:

97110

PubChem CID:

50028046

Reduced:

F3O4N5C35H38 (1)

Stoich.:

A3B4C5D35E38 (1)

Weight, g/mol:

780.320224

ΔHf, kcal/mol:

-266.59

Dipole, Da:

12.98

IP(EA), eV:

 -8.7(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations