Geometry & MOs

Info

ID:	175772
PubChem CID:	75945451
Reduced:	FN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	412.13176
ΔH_f, kcal/mol:	-99.89
Dipole, Da:	2.19
IP(EA), eV:	-8.86(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazo[1,5-a]pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)NC2C(CC3=CC=CC=C23)O

DOS

IR

Vibrations