Geometry & MOs

Info

ID:	15878
PubChem CID:	454239
Reduced:	NO6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	-226.23
Dipole, Da:	5.16
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,4aR,11bR)-2,3,4-trihydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Drug info:

PubChemData

Smile

C1[C@H]2[C@H]([C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C3=CC4=C(C=C23)OCO4

DOS

IR

Vibrations