Geometry & MOs

Info

ID:	33935
PubChem CID:	7888880
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	378.059818
ΔH_f, kcal/mol:	-108.75
Dipole, Da:	7.96
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations