Geometry & MOs

Info

ID:	243188
PubChem CID:	99216717
Reduced:	BrO3N6H15C18 (1)
Stoich.:	AB3C6D15E18 (1)
Weight, g/mol:	423.116524
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	4.06
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCNC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations