Geometry & MOs

Info

ID:	209072
PubChem CID:	80619168
Reduced:	ClOSN3C10H14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	305.074659
ΔH_f, kcal/mol:	-1.94
Dipole, Da:	3.78
IP(EA), eV:	-9.73(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C(C1)C)C(=O)C2=NN=C(S2)Cl

DOS

IR

Vibrations