Geometry & MOs

Info

ID:	373279
PubChem CID:	131312639
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	253.980443
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	4.71
IP(EA), eV:	-9.21(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-chloro-5-formyl-1-benzothiophene-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1C=CC=C2[N+](=O)[O-])C=O

DOS

IR

Vibrations