Geometry & MOs

Info

ID:	48635
PubChem CID:	11110198
Reduced:	FSO2H15C19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-27.44
Dipole, Da:	6.77
IP(EA), eV:	-8.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,11R,12R,15R,16R)-16-ethenyl-12-methoxy-10-methyl-13-oxapentacyclo[10.4.1.01,9.02,6.011,15]heptadeca-6,9-diene-5,17-dione

Drug info:

PubChemData

Smile

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)C=O

DOS

IR

Vibrations