Geometry & MOs

Info

ID:	375479
PubChem CID:	131529857
Reduced:	NSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	221.014664
ΔH_f, kcal/mol:	2.14
Dipole, Da:	7.3
IP(EA), eV:	-9.58(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-nitro-1-benzothiophene-7-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=C(C2=C1C=CS2)C=O)[N+](=O)[O-]

DOS

IR

Vibrations