Geometry & MOs

Info

ID:	218173
PubChem CID:	85088991
Reduced:	FSO5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	436.171973
ΔH_f, kcal/mol:	-263.4
Dipole, Da:	8.19
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-acetyl 9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate

Drug info:

PubChemData

Smile

CCC(=O)SC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)O

DOS

IR

Vibrations