Geometry & MOs

Info

ID:	396840
PubChem CID:	135029303
Reduced:	FNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	317.072179
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	5.28
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-3-nitro-3,4-dihydro-2H-thiochromen-4-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(C(S2)C3=CC=C(C=C3)F)[N+](=O)[O-])O

DOS

IR

Vibrations