Geometry & MOs

Info

ID:	282856
PubChem CID:	103942457
Reduced:	NS2O5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	287.064986
ΔH_f, kcal/mol:	-119.93
Dipole, Da:	4.37
IP(EA), eV:	-9.31(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(5-cyclohexylsulfanyl-4-nitrothiophen-2-yl)ethanol

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=C(C=C(S1)[C@@H](C)O)[N+](=O)[O-]

DOS

IR

Vibrations