Geometry & MOs

Info

ID:	396836
PubChem CID:	135029298
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	321.022642
ΔH_f, kcal/mol:	-77.88
Dipole, Da:	2.54
IP(EA), eV:	-8.18(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC3=CC=CC=C3[C@H]2CC(=O)OC

DOS

IR

Vibrations