Geometry & MOs

Info

ID:	24190
PubChem CID:	608378
Reduced:	O5C23H34 (1)
Stoich.:	A5B23C34 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-258.98
Dipole, Da:	7.34
IP(EA), eV:	-10.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O

DOS

IR

Vibrations