Geometry & MOs

Info

ID:	28057
PubChem CID:	825354
Reduced:	NOSC19H23 (1)
Stoich.:	ABCD19E23 (1)
Weight, g/mol:	324.98845
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	3.25
IP(EA), eV:	-8.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=CC=C2CC(=O)NC(C)(C)C

DOS

IR

Vibrations