Geometry & MOs

Info

ID:	173344
PubChem CID:	75625593
Reduced:	ClN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	353.055816
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	5.0
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylidene-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C=CC3=C(N(N=C3C)C)Cl

DOS

IR

Vibrations