Geometry & MOs

Info

ID:	146425
PubChem CID:	53687543
Reduced:	SN3O3C17H29 (1)
Stoich.:	AB3C3D17E29 (1)
Weight, g/mol:	508.242081
ΔH_f, kcal/mol:	-130.99
Dipole, Da:	3.19
IP(EA), eV:	-8.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl 6-[2-(2-aminoethoxy)ethoxymethyl]-2-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCC(CC)C(=O)C1=CC(=C(C=C1)N)NS(=O)(=O)N(CC)CC

DOS

IR

Vibrations