Geometry & MOs

Info

ID:	121021
PubChem CID:	50753596
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	408.11775
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	5.86
IP(EA), eV:	-9.22(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C

DOS

IR

Vibrations