Geometry & MOs

Info

ID:	161311
PubChem CID:	57391314
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	360.23006
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	9.03
IP(EA), eV:	-9.55(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4S,5R,9S,10S,13S)-5,9,13-trimethyl-16-methylidene-15-oxo-14-oxatetracyclo[11.3.1.01,10.04,9]heptadecane-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2[C@@H]([C@H](NC2=O)OC)OC)C

DOS

IR

Vibrations