Geometry & MOs

Info

ID:	35714
PubChem CID:	7980234
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	6.52
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NCCC#N

DOS

IR

Vibrations