Geometry & MOs

Info

ID:	1902
PubChem CID:	5303
Reduced:	O6C23H32 (1)
Stoich.:	A6B23C32 (1)
Weight, g/mol:	404.219889
ΔH_f, kcal/mol:	-277.91
Dipole, Da:	6.65
IP(EA), eV:	-10.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Drug info:

PubChemData

Smile

CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O

DOS

IR

Vibrations