Geometry & MOs

Info

ID:	61370
PubChem CID:	26708651
Reduced:	ClFOSN2H14C18 (1)
Stoich.:	ABCDE2F14G18 (1)
Weight, g/mol:	484.103911
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	3.73
IP(EA), eV:	-9.12(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations