Geometry & MOs

Info

ID:	36073
PubChem CID:	7980729
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	416.119464
ΔH_f, kcal/mol:	-167.24
Dipole, Da:	4.43
IP(EA), eV:	-9.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations