Geometry & MOs

Info

ID:

102434

PubChem CID:

50067210

Reduced:

Cl2F2O3N4H28C29 (1)

Stoich.:

A2B2C3D4E28F29 (1)

Weight, g/mol:

622.177009

ΔHf, kcal/mol:

-182.77

Dipole, Da:

10.47

IP(EA), eV:

 -9.02(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations