Geometry & MOs

Info

ID:	282839
PubChem CID:	103941462
Reduced:	SN2O3C8H12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	7.34
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations