Geometry & MOs

Info

ID:

97677

PubChem CID:

50033793

Reduced:

F3O4N5C35H40 (1)

Stoich.:

A3B4C5D35E40 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-284.24

Dipole, Da:

7.34

IP(EA), eV:

 -8.74(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]-1-[1-[1-[5-[(4-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)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations