Geometry & MOs

Info

ID:	432092
PubChem CID:	135172224
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	162.035065
ΔH_f, kcal/mol:	-101.38
Dipole, Da:	5.56
IP(EA), eV:	-8.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxythiane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CC(C)C)C2CC3(C2)CCC3)[N+](=O)[O-]

DOS

IR

Vibrations