Geometry & MOs

Info

ID:	29721
PubChem CID:	836710
Reduced:	ClNOF3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	328.92922
ΔH_f, kcal/mol:	-170.24
Dipole, Da:	2.86
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations