Geometry & MOs

Info

ID:

98848

PubChem CID:

50046645

Reduced:

O4F5N5H30C31 (1)

Stoich.:

A4B5C5D30E31 (1)

Weight, g/mol:

665.182823

ΔHf, kcal/mol:

-365.8

Dipole, Da:

8.97

IP(EA), eV:

 -9.2(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations