Geometry & MOs

Info

ID:	43256
PubChem CID:	10320236
Reduced:	OCl2S2N3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	426.225368
ΔH_f, kcal/mol:	16.77
Dipole, Da:	4.82
IP(EA), eV:	-8.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3S,4R,7S,8Z,12S,13S,14S,17S)-3,12,14,17-tetrahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-2-yl] acetate

Drug info:

PubChemData

Smile

CN\1C2=CC=CC=C2S/C1=N\C(=NCC(C3=C(C=CC=C3Cl)Cl)O)SC

DOS

IR

Vibrations