Geometry & MOs

Info

ID:	446428
PubChem CID:	135274899
Reduced:	SC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	432.157324
ΔH_f, kcal/mol:	57.3
Dipole, Da:	2.4
IP(EA), eV:	-8.22(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluoro-4-(4-fluoro-2-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

C/C=C\C(=C(/C=C\C)\SC=C)\C=C

DOS

IR

Vibrations