Geometry & MOs

Info

ID:	25789
PubChem CID:	630545
Reduced:	SN2O3H14C20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	698.504088
ΔH_f, kcal/mol:	5.27
Dipole, Da:	7.9
IP(EA), eV:	-9.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-decyl-3-methoxy-5-pentylphenyl) 15-(3-chloro-4-methoxyphenyl)pentadecanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations