Geometry & MOs

Info

ID:	44761
PubChem CID:	10505829
Reduced:	SN2O7C25H36 (1)
Stoich.:	AB2C7D25E36 (1)
Weight, g/mol:	508.324748
ΔH_f, kcal/mol:	-267.88
Dipole, Da:	1.13
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-(butoxymethyl)-18-[2-(oxan-2-yloxy)ethoxy]-1,4,7,10,13,16-hexaoxacyclononadecane

Drug info:

PubChemData

Smile

C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)NCC(=O)C3=CN=C(C=C3)SC)/C)[C@H](C)O

DOS

IR

Vibrations