Geometry & MOs

Info

ID:

100558

PubChem CID:

50062325

Reduced:

F2N6O6C43H48 (1)

Stoich.:

A2B6C6D43E48 (1)

Weight, g/mol:

649.287589

ΔHf, kcal/mol:

-287.03

Dipole, Da:

7.4

IP(EA), eV:

 -8.29(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

DOS

IR

Vibrations