Geometry & MOs

Info

ID:	33890
PubChem CID:	7888611
Reduced:	Cl2N2O5H14C18 (1)
Stoich.:	A2B2C5D14E18 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-145.07
Dipole, Da:	4.3
IP(EA), eV:	-8.98(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)CCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations