Geometry & MOs

Info

ID:	159209
PubChem CID:	57264385
Reduced:	NSO4C21H37 (1)
Stoich.:	ABC4D21E37 (1)
Weight, g/mol:	627.29306
ΔH_f, kcal/mol:	-188.54
Dipole, Da:	2.92
IP(EA), eV:	-8.44(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyanomethyl)-1-iodo-3-[sulfinato-[3-(trimethylazaniumyl)propyl]amino]propoxy]hexadecane

Drug info:

PubChemData

Smile

CC(CCCC(=O)NO)SCCC1C2CCC(C1COC3CCCCC3)O2

DOS

IR

Vibrations