Geometry & MOs

Info

ID:	169335
PubChem CID:	75090060
Reduced:	NSO6C8H13 (1)
Stoich.:	ABC6D8E13 (1)
Weight, g/mol:	392.158351
ΔH_f, kcal/mol:	-146.68
Dipole, Da:	3.3
IP(EA), eV:	-8.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,7-tetrahydroxy-1-piperidin-1-yl-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Drug info:

PubChemData

Smile

CCS(=O)C1COC2C1OCC2O[N+](=O)[O-]

DOS

IR

Vibrations