Geometry & MOs

Info

ID:	146539
PubChem CID:	53702340
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-203.8
Dipole, Da:	5.74
IP(EA), eV:	-10.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,6-dimethyl-4-[3-(1,3-thiazol-2-ylamino)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCC[C@@](CC=C)(CC(C(=O)CC)C(=O)O)O

DOS

IR

Vibrations