Geometry & MOs

Info

ID:	393261
PubChem CID:	135019903
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	543.265459
ΔH_f, kcal/mol:	21.48
Dipole, Da:	4.9
IP(EA), eV:	-8.61(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,10R,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Drug info:

PubChemData

Smile

C/C(=C\C(=O)C)/C1=C(NC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations