Geometry & MOs

Info

ID:

113089

PubChem CID:

50431050

Reduced:

O4F5N5C33H34 (1)

Stoich.:

A4B5C5D33E34 (1)

Weight, g/mol:

693.214123

ΔHf, kcal/mol:

-380.39

Dipole, Da:

6.16

IP(EA), eV:

 -9.11(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(trifluoromethyl)anilino]-3-oxopropyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations