Geometry & MOs

Info

ID:	35671
PubChem CID:	7980179
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	6.55
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations