Geometry & MOs

Info

ID:	33945
PubChem CID:	7888933
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	388.135782
ΔH_f, kcal/mol:	56.03
Dipole, Da:	2.49
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC2=CC=CC=C21)SC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations