Geometry & MOs

Info

ID:	217544
PubChem CID:	85087977
Reduced:	ClSN3O3H12C17 (1)
Stoich.:	ABC3D3E12F17 (1)
Weight, g/mol:	374.111401
ΔH_f, kcal/mol:	29.63
Dipole, Da:	4.05
IP(EA), eV:	-9.63(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenoxazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=S)C(=CC3=CC=C(C=C3)[N+](=O)[O-])NC2=O)Cl

DOS

IR

Vibrations