Geometry & MOs

Info

ID:	28702
PubChem CID:	829049
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-124.76
Dipole, Da:	5.85
IP(EA), eV:	-9.39(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-ethoxy-3-methoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CCN1S(=O)(=O)C2=CC=C(C=C2)C)O

DOS

IR

Vibrations