Geometry & MOs

Info

ID:	104146
PubChem CID:	50092211
Reduced:	FN2O2C15H16 (2)
Stoich.:	AB2C2D15E16 (2)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-212.27
Dipole, Da:	13.62
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-anilino-2-oxoethyl)-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations