Geometry & MOs

Info

ID:	180202
PubChem CID:	76595970
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	639.398247
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	3.32
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl)-9-(3-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecane-5,7-dione

Drug info:

PubChemData

Smile

C=C1NC2=CC(C=CC2=N1)C(=O)CSCCCCCCO

DOS

IR

Vibrations