Geometry & MOs

Info

ID:	19257
PubChem CID:	559194
Reduced:	O5C23H34 (1)
Stoich.:	A5B23C34 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-254.91
Dipole, Da:	5.4
IP(EA), eV:	-10.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CC(C(C5)O)O)C

DOS

IR

Vibrations