Geometry & MOs

Info

ID:	282844
PubChem CID:	103941936
Reduced:	SN3O3C12H21 (1)
Stoich.:	AB3C3D12E21 (1)
Weight, g/mol:	298.059898
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	7.0
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-[methyl(3,3,3-trifluoropropyl)amino]-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)N(C)CCCN(C)C)[N+](=O)[O-])O

DOS

IR

Vibrations