Geometry & MOs

Info

ID:	25228
PubChem CID:	621093
Reduced:	O2C29H48 (1)
Stoich.:	A2B29C48 (1)
Weight, g/mol:	350.225723
ΔH_f, kcal/mol:	-166.15
Dipole, Da:	2.26
IP(EA), eV:	-9.38(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-6-(hydroxymethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CC=CC(C)C1C(CC2C1(CCC3C2CCC4C3(CCCC4)C)C)OC(=O)C

DOS

IR

Vibrations