Geometry & MOs

Info

ID:	205016
PubChem CID:	80043130
Reduced:	NF2O2H9C16 (1)
Stoich.:	AB2C2D9E16 (1)
Weight, g/mol:	276.056863
ΔH_f, kcal/mol:	-96.46
Dipole, Da:	2.85
IP(EA), eV:	-9.7(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-nitro-4-pyridin-4-ylsulfanylphenyl)ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=C(C=CC=C3F)C(=C2)C(=O)O)F

DOS

IR

Vibrations