Geometry & MOs

Info

ID:	162805
PubChem CID:	57570970
Reduced:	N2O5C16H26 (1)
Stoich.:	A2B5C16D26 (1)
Weight, g/mol:	543.108902
ΔH_f, kcal/mol:	-233.35
Dipole, Da:	6.03
IP(EA), eV:	-9.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[[4-methyl-4-(methyldisulfanyl)pentanoyl]amino]propoxy]-5-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCOC1=CC(=NC(=C1)CO)CO

DOS

IR

Vibrations