Geometry & MOs

Info

ID:	337888
PubChem CID:	127258511
Reduced:	NCl2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	436.301116
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	4.8
IP(EA), eV:	-9.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-yloxyphenyl)sulfanyldodecyl butanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)O/N=C/C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations