Geometry & MOs

Info

ID:	246852
PubChem CID:	103065124
Reduced:	NOSC7H8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	312.015783
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	7.5
IP(EA), eV:	-8.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-chloro-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3CCSC3)N

DOS

IR

Vibrations