Geometry & MOs

Info

ID:	109755
PubChem CID:	50296235
Reduced:	ClO4N5C35H40 (1)
Stoich.:	AB4C5D35E40 (1)
Weight, g/mol:	520.228597
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	8.41
IP(EA), eV:	-8.58(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5)C

DOS

IR

Vibrations