Geometry & MOs

Info

ID:	149886
PubChem CID:	53789566
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	554.299202
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	10.22
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-methyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-6-(2-morpholin-4-ylethyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(N1CC)C2=CC=C(C=C2)COS(=O)(=O)C)C#N

DOS

IR

Vibrations