Geometry & MOs

Info

ID:	140391
PubChem CID:	52690037
Reduced:	ON5C20H36 (1)
Stoich.:	AB5C20D36 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-17.07
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755248
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCCN(CC2)CC3CCCCC3

DOS

IR

Vibrations