Geometry & MOs

Info

ID:	27008
PubChem CID:	811133
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-92.15
Dipole, Da:	7.9
IP(EA), eV:	-9.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2-methylbenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations