Geometry & MOs

Info

ID:	425610
PubChem CID:	135126952
Reduced:	F3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	-373.3
Dipole, Da:	3.93
IP(EA), eV:	-9.83(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(10S,13S,17R)-3,17-dihydroxy-10,13-dimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)[C@]1(CCC2[C@@]1(CC=C3C2CC(C4=CC(C=C[C@]34C)O)C(F)(F)F)C)O

DOS

IR

Vibrations