Geometry & MOs

Info

ID:	374160
PubChem CID:	131324644
Reduced:	ClSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	305.95014
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	5.4
IP(EA), eV:	-8.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-3-iodo-2-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C=C(S2)Cl)C=O

DOS

IR

Vibrations