Geometry & MOs

Info

ID:	144705
PubChem CID:	53400618
Reduced:	SO2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	501.199882
ΔH_f, kcal/mol:	-22.85
Dipole, Da:	2.51
IP(EA), eV:	-8.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

but-2-enedioate;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3SCCC(=O)O

DOS

IR

Vibrations