Geometry & MOs

Info

ID:	282838
PubChem CID:	103941459
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	216.056863
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	7.48
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(S2)[C@@H](C)O)[N+](=O)[O-]

DOS

IR

Vibrations