Geometry & MOs

Info

ID:	282855
PubChem CID:	103942430
Reduced:	S2N3O4H9C10 (1)
Stoich.:	A2B3C4D9E10 (1)
Weight, g/mol:	291.023515
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	6.39
IP(EA), eV:	-9.64(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(1R)-1-hydroxyethyl]-3-nitrothiophen-2-yl]sulfanylacetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)SC2=NC=CC(=O)N2)[N+](=O)[O-])O

DOS

IR

Vibrations