Geometry & MOs

Info

ID:	29984
PubChem CID:	838741
Reduced:	OSN5H9C11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	237.037211
ΔH_f, kcal/mol:	96.43
Dipole, Da:	8.73
IP(EA), eV:	-8.57(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=NC(=S)N(C(=O)C3=CN2)N

DOS

IR

Vibrations