Geometry & MOs

Info

ID:	104145
PubChem CID:	50092210
Reduced:	F2N4O4C29H30 (1)
Stoich.:	A2B4C4D29E30 (1)
Weight, g/mol:	550.239162
ΔH_f, kcal/mol:	-198.74
Dipole, Da:	11.4
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations