Geometry & MOs

Info

ID:	282848
PubChem CID:	103942015
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	309.067094
ΔH_f, kcal/mol:	-49.49
Dipole, Da:	5.87
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(4-ethoxyphenoxy)-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(S1)N(C)CC2CCCN2C)[N+](=O)[O-])O

DOS

IR

Vibrations