Geometry & MOs

Info

ID:	217207
PubChem CID:	85087426
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	342.204239
ΔH_f, kcal/mol:	-22.85
Dipole, Da:	7.26
IP(EA), eV:	-8.45(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]propan-2-ol

Drug info:

PubChemData

Smile

C1CC2C(C(C1)N3CCNCC3)NNC2S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations