Geometry & MOs

Info

ID:	228027
PubChem CID:	87563249
Reduced:	O2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	403.98229
ΔH_f, kcal/mol:	-196.49
Dipole, Da:	4.83
IP(EA), eV:	-10.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2,4-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]-3-(dimethylamino)propanal

Drug info:

PubChemData

Smile

C=C(CCCCCCC(O)O)C(=O)O

DOS

IR

Vibrations