Geometry & MOs

Info

ID:	214859
PubChem CID:	85083754
Reduced:	NO9H35C36 (1)
Stoich.:	AB9C35D36 (1)
Weight, g/mol:	626.206684
ΔH_f, kcal/mol:	-245.68
Dipole, Da:	0.91
IP(EA), eV:	-8.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(11,14,25,28-tetraoxo-1,4,7,10,15,24-hexaoxacyclooctacos-26-en-12-yl)sulfanyl]propyl methanesulfonate

Drug info:

PubChemData

Smile

COC1C2C(CO1)C(C3=CC4=C(C=C3C2C5=CC(=C(C(=C5)OC)OC(=O)OCC6=CC=CC=C6)OC)OCO4)NC7=CC=CC=C7

DOS

IR

Vibrations