Geometry & MOs

Info

ID:	39771
PubChem CID:	8142220
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	419.130363
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	4.49
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-cyanobenzoyl)-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations