Geometry & MOs

Info

ID:	33941
PubChem CID:	7888914
Reduced:	NF2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	-203.75
Dipole, Da:	5.36
IP(EA), eV:	-9.08(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-adamantyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)OC(F)F)OC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations