Geometry & MOs

Info

ID:	308056
PubChem CID:	125316765
Reduced:	ClN3O3H14C20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	323.979398
ΔH_f, kcal/mol:	-19.97
Dipole, Da:	4.04
IP(EA), eV:	-9.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-(4-chlorophenyl)-5-methylsulfonyl-2-sulfanylidene-3H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2[C@H]3[C@H]4[C@H]([C@@H](N3N=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)NC4=O

DOS

IR

Vibrations