Geometry & MOs

Info

ID:	35717
PubChem CID:	7980238
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	416.059756
ΔH_f, kcal/mol:	-119.19
Dipole, Da:	7.83
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations