Geometry & MOs

Info

ID:	44422
PubChem CID:	10503461
Reduced:	NC16H16 (2)
Stoich.:	AB16C16 (2)
Weight, g/mol:	444.25456
ΔH_f, kcal/mol:	158.01
Dipole, Da:	4.59
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-12-(1-ethoxyethoxy)-2-hydroxydodecyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)CCC#CC1CC1C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations