Geometry & MOs

Info

ID:	222015
PubChem CID:	85293375
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	462.188983
ΔH_f, kcal/mol:	-217.95
Dipole, Da:	3.38
IP(EA), eV:	-9.76(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)CCC2C1(CC(C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)CO)C)C)O)C

DOS

IR

Vibrations