Geometry & MOs

Info

ID:	97459
PubChem CID:	50031906
Reduced:	ClF2O3N4H27C28 (1)
Stoich.:	AB2C3D4E27F28 (1)
Weight, g/mol:	548.259897
ΔH_f, kcal/mol:	-165.38
Dipole, Da:	7.05
IP(EA), eV:	-9.1(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations