Geometry & MOs

Info

ID:	132174
PubChem CID:	51315667
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	7.89
IP(EA), eV:	-8.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations