Geometry & MOs

Info

ID:	103813
PubChem CID:	50073884
Reduced:	O3N4C31H36 (1)
Stoich.:	A3B4C31D36 (1)
Weight, g/mol:	516.253669
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	6.44
IP(EA), eV:	-8.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations