Geometry & MOs

Info

ID:	209029
PubChem CID:	80615582
Reduced:	OS2N5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	252.04811
ΔH_f, kcal/mol:	34.87
Dipole, Da:	4.15
IP(EA), eV:	-8.92(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)NC(=O)C2=NN=C(S2)N

DOS

IR

Vibrations