Geometry & MOs

Info

ID:	282842
PubChem CID:	103941674
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	8.08
IP(EA), eV:	-8.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations