Geometry & MOs

Info

ID:	303739
PubChem CID:	124490117
Reduced:	NSO5C9H19 (1)
Stoich.:	ABC5D9E19 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	-239.65
Dipole, Da:	2.8
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,10R,11S,15S,17S)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-5,14-dione

Drug info:

PubChemData

Smile

C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)SC)O)O)O)N)O

DOS

IR

Vibrations