Geometry & MOs

Info

ID:	43728
PubChem CID:	10321707
Reduced:	ClSO2N5H20C22 (1)
Stoich.:	ABC2D5E20F22 (1)
Weight, g/mol:	453.170686
ΔH_f, kcal/mol:	40.1
Dipole, Da:	7.14
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 1-(4-chlorophenyl)-2,6-dimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=NC=CS4)Cl)C(=O)CN

DOS

IR

Vibrations