Geometry & MOs

Info

ID:	228446
PubChem CID:	87564529
Reduced:	ClNO3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	266.007137
ΔH_f, kcal/mol:	-52.59
Dipole, Da:	4.17
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-4-methylthiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O)Cl

DOS

IR

Vibrations