Geometry & MOs

Info

ID:	157158
PubChem CID:	56422204
Reduced:	S2O3N5H15C17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	412.066383
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	7.84
IP(EA), eV:	-9.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(prop-2-ynylsulfamoyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)N=C2N1C=C(C=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations