Geometry & MOs

Info

ID:	156330
PubChem CID:	56370115
Reduced:	S2O3N4C21H30 (1)
Stoich.:	A2B3C4D21E30 (1)
Weight, g/mol:	287.084081
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	6.45
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CSC(=N3)C(C)(C)C)C

DOS

IR

Vibrations