Geometry & MOs

Info

ID:	426608
PubChem CID:	135151859
Reduced:	ClO3N4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	233.072179
ΔH_f, kcal/mol:	-71.76
Dipole, Da:	5.11
IP(EA), eV:	-8.6(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-methylsulfonyl-3,4-dihydro-2H-pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(N=C1)N(CC2CC2)C3CCOCC3)NC4=NC=C(C=C4)Cl

DOS

IR

Vibrations