Geometry & MOs

Info

ID:	263912
PubChem CID:	103407177
Reduced:	ClOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	338.966974
ΔH_f, kcal/mol:	11.97
Dipole, Da:	2.33
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CCNC(C1=C(C(=CS1)C)Cl)C2=NC=CN=C2OC

DOS

IR

Vibrations