Geometry & MOs

Info

ID:	194024
PubChem CID:	78470439
Reduced:	ClSN2O5H12C15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-43.94
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778468
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC(=O)NC(CC(=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations