Geometry & MOs

Info

ID:	36122
PubChem CID:	7980789
Reduced:	NO6H17C22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	405.103479
ΔH_f, kcal/mol:	-167.86
Dipole, Da:	4.88
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3)OCO2

DOS

IR

Vibrations