Geometry & MOs

Info

ID:	374493
PubChem CID:	131330488
Reduced:	NS2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	174.025169
ΔH_f, kcal/mol:	-101.08
Dipole, Da:	2.53
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1)C2=C(SC=C2)CC(=O)O

DOS

IR

Vibrations