Geometry & MOs

Info

ID:	147399
PubChem CID:	53787055
Reduced:	NS2O3C20H33 (1)
Stoich.:	AB2C3D20E33 (1)
Weight, g/mol:	456.251189
ΔH_f, kcal/mol:	-142.93
Dipole, Da:	1.54
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9S,10R,13S,14S,16S,17R)-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3,11-dioxo-4,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate

Drug info:

PubChemData

Smile

CCCCC(C)OC(=S)CS(=O)(=O)NC1=C(C=CC=C1C(C)C)C(C)C

DOS

IR

Vibrations