Geometry & MOs

Info

ID:	226224
PubChem CID:	87350180
Reduced:	ClO2C10H21 (1)
Stoich.:	AB2C10D21 (1)
Weight, g/mol:	412.151987
ΔH_f, kcal/mol:	-165.5
Dipole, Da:	3.97
IP(EA), eV:	-11.01(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)O.Cl

DOS

IR

Vibrations