Geometry & MOs

Info

ID:	61430
PubChem CID:	26709289
Reduced:	F2O2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-105.92
Dipole, Da:	3.79
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations