Geometry & MOs

Info

ID:	282853
PubChem CID:	103942386
Reduced:	NCl2S2O3H9C12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	314.979063
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	5.77
IP(EA), eV:	-9.1(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(2-chlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)SC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations