Geometry & MOs

Info

ID:	228399
PubChem CID:	87564205
Reduced:	S2N3O3H9C14 (1)
Stoich.:	A2B3C3D9E14 (1)
Weight, g/mol:	323.987464
ΔH_f, kcal/mol:	54.02
Dipole, Da:	8.22
IP(EA), eV:	-8.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-nitro-5-(4-nitrophenyl)sulfanylthiophen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)SC3=C(C=C(S3)CC=O)[N+](=O)[O-]

DOS

IR

Vibrations