Geometry & MOs

Info

ID:	195290
PubChem CID:	78669810
Reduced:	ClFOSN4C13H14 (1)
Stoich.:	ABCDE4F13G14 (1)
Weight, g/mol:	345.021787
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	8.26
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichloropyridin-2-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)SC(C)C(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations