Geometry & MOs

Info

ID:	375233
PubChem CID:	131480995
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-32.66
Dipole, Da:	7.88
IP(EA), eV:	-9.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-amino-1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl]methanol

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=C(C=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations