Geometry & MOs

Info

ID:	160046
PubChem CID:	57304478
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	8.74
Dipole, Da:	2.53
IP(EA), eV:	-8.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,2S,11S,12S,15S,16S,18R)-15-hydroxy-2,16-dimethyl-5-oxo-19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadec-6-en-15-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)N(C1=NC(=C(S1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=N)N

DOS

IR

Vibrations