Geometry & MOs

Info

ID:	156349
PubChem CID:	56370225
Reduced:	SN3O3C25H33 (1)
Stoich.:	AB3C3D25E33 (1)
Weight, g/mol:	462.206719
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	8.63
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCNS(=O)(=O)/C=C/C2=CC=CC=C2)CCCC3=CC=CC=C3

DOS

IR

Vibrations