Geometry & MOs

Info

ID:	102989
PubChem CID:	50070299
Reduced:	FO3N4C31H35 (1)
Stoich.:	AB3C4D31E35 (1)
Weight, g/mol:	538.219175
ΔH_f, kcal/mol:	-136.86
Dipole, Da:	9.28
IP(EA), eV:	-8.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations