Geometry & MOs

Info

ID:	139449
PubChem CID:	52532184
Reduced:	ON2S2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	362.082404
ΔH_f, kcal/mol:	13.24
Dipole, Da:	3.4
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboximidate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations