Geometry & MOs

Info

ID:	243917
PubChem CID:	99300599
Reduced:	ClSN2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	495.024489
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	2.87
IP(EA), eV:	-8.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)OC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations