Geometry & MOs

Info

ID:	28059
PubChem CID:	825361
Reduced:	SO2N3C8H13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	326.024039
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	5.13
IP(EA), eV:	-9.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)OCC

DOS

IR

Vibrations