Geometry & MOs

Info

ID:	27504
PubChem CID:	821687
Reduced:	NSO3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	3.08
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-nitro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CSC=C1C(=O)OC

DOS

IR

Vibrations