Geometry & MOs

Info

ID:	201266
PubChem CID:	79517051
Reduced:	ClNOS2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	262.052447
ΔH_f, kcal/mol:	13.05
Dipole, Da:	0.77
IP(EA), eV:	-8.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)SCC2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations