Geometry & MOs

Info

ID:	43043
PubChem CID:	10318092
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	388.136925
ΔH_f, kcal/mol:	-32.74
Dipole, Da:	4.45
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-6-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl N-ethylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=COC5=CC=CC=C54

DOS

IR

Vibrations