Geometry & MOs

Info

ID:	169337
PubChem CID:	75090062
Reduced:	NO4C8H9 (2)
Stoich.:	AB4C8D9 (2)
Weight, g/mol:	442.137616
ΔH_f, kcal/mol:	-320.3
Dipole, Da:	6.26
IP(EA), eV:	-9.13(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-(2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O

DOS

IR

Vibrations