Geometry & MOs

Info

ID:

99695

PubChem CID:

50054207

Reduced:

F4O5N6C42H44 (1)

Stoich.:

A4B5C6D42E44 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-335.65

Dipole, Da:

7.92

IP(EA), eV:

 -9.2(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-anilino-1-oxopropan-2-yl)-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations