Geometry & MOs

Info

ID:	149534
PubChem CID:	53789207
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	424.297745
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	3.36
IP(EA), eV:	-8.96(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,13S,14S,17S)-17-(2-cyclohexylacetyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C=O)C2C(C=CS2)O

DOS

IR

Vibrations