Geometry & MOs

Info

ID:	61262
PubChem CID:	26707530
Reduced:	SF2O2N4H16C22 (1)
Stoich.:	AB2C2D4E16F22 (1)
Weight, g/mol:	484.103911
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	9.1
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC3=NC(=C(S3)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations