Geometry & MOs

Info

ID:	123367
PubChem CID:	50844155
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	349.101561
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	3.92
IP(EA), eV:	-8.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-2-[2-(dimethylamino)ethylsulfanyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations