Geometry & MOs

Info

ID:	148356
PubChem CID:	53788018
Reduced:	ClO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	477.364051
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	2.64
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hexadecylsulfanylpropylamino)propyl benzoate

Drug info:

PubChemData

Smile

CC(=CC(=O)OCC=CCl)COC1=CC=C(C=C1)OC2=CC=CC=C2

DOS

IR

Vibrations