Geometry & MOs

Info

ID:	157488
PubChem CID:	56430562
Reduced:	ON6H18C20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	86.13
Dipole, Da:	5.31
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CN2C=NC=N2)NC(=O)NC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations