Geometry & MOs

Info

ID:	228158
PubChem CID:	87563548
Reduced:	OH14C16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	285.954056
ΔH_f, kcal/mol:	47.29
Dipole, Da:	2.53
IP(EA), eV:	-8.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-nitro-5-(1,3-thiazol-2-ylsulfanyl)thiophen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1CC(=C1C2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations