Geometry & MOs

Info

ID:	305088
PubChem CID:	124766509
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	8.78
IP(EA), eV:	-9.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5R,9R,10S,12S,13R,17S)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H]1C[C@@H](C(=O)O1)C[C@H](C)C(=O)NC2=NN=CS2

DOS

IR

Vibrations