Geometry & MOs

Info

ID:	214512
PubChem CID:	85083140
Reduced:	SN3C35H49 (1)
Stoich.:	AB3C35D49 (1)
Weight, g/mol:	544.04416
ΔH_f, kcal/mol:	129.18
Dipole, Da:	3.71
IP(EA), eV:	-7.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[[3-(iodomethyl)oxiran-2-yl]methoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(=NN=C5N(C6=CC=CC=C6S5)C)CCC34C)C

DOS

IR

Vibrations