Geometry & MOs

Info

ID:	227935
PubChem CID:	87563089
Reduced:	NSCl2O4H7C12 (1)
Stoich.:	ABC2D4E7F12 (1)
Weight, g/mol:	283.008534
ΔH_f, kcal/mol:	-36.25
Dipole, Da:	9.56
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(5-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitrothiophen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)OC2=C(C=C(S2)CC=O)[N+](=O)[O-]

DOS

IR

Vibrations