Geometry & MOs

Info

ID:	218536
PubChem CID:	85089586
Reduced:	NO6C26H55 (1)
Stoich.:	AB6C26D55 (1)
Weight, g/mol:	478.183897
ΔH_f, kcal/mol:	-357.13
Dipole, Da:	6.27
IP(EA), eV:	-9.36(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-acetyloxy-1,3,4,9-tetrahydroxy-4b,8,8-trimethyl-10-oxo-6,7-dihydro-5H-phenanthren-2-yl)-3-hydroxypropyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN(CCCOC)CC(C(C(C(CO)O)O)O)O

DOS

IR

Vibrations