Geometry & MOs

Info

ID:	339181
PubChem CID:	127260560
Reduced:	SN2O5C12H14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-178.17
Dipole, Da:	8.91
IP(EA), eV:	-10.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,8R,11R,12S,16S)-5-hydroxy-2,16-dimethyl-15-oxo-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)NS(=O)(=O)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations