Geometry & MOs

Info

ID:	282849
PubChem CID:	103942189
Reduced:	NSO5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	295.051444
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	9.75
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=C(C=C(S2)[C@@H](C)O)[N+](=O)[O-]

DOS

IR

Vibrations