Geometry & MOs

Info

ID:	282850
PubChem CID:	103942242
Reduced:	NSO5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	360.94197
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	8.99
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(4-bromo-2-fluorophenoxy)-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(S1)OC2=CC=C(C=C2)OC)[N+](=O)[O-])O

DOS

IR

Vibrations