Geometry & MOs

Info

ID:	226465
PubChem CID:	87457431
Reduced:	N2S2O5C14H14 (1)
Stoich.:	A2B2C5D14E14 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-45.91
Dipole, Da:	1.65
IP(EA), eV:	-9.14(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-hydroxy-3-(4-methylphenyl)cyclohexa-2,4-diene-1-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)/N=[S@@](\C)/C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations