Geometry & MOs

Info

ID:	46314
PubChem CID:	10523845
Reduced:	OC28H28 (1)
Stoich.:	AB28C28 (1)
Weight, g/mol:	380.78174
ΔH_f, kcal/mol:	27.72
Dipole, Da:	3.55
IP(EA), eV:	-8.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-diiodo-5-nitrothiophene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C\C2=CC3=C(C(=C2)CCC4=CC(=CC(=C4C)CC3)C=O)C

DOS

IR

Vibrations