Geometry & MOs

Info

ID:	292354
PubChem CID:	114917338
Reduced:	OCl2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	326.00474
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	4.58
IP(EA), eV:	-9.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(2-ethylsulfanylphenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CCNC(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations