Geometry & MOs

Info

ID:	438079
PubChem CID:	135227650
Reduced:	NSC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	513.03499
ΔH_f, kcal/mol:	16.73
Dipole, Da:	1.47
IP(EA), eV:	-8.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chloro-2-iodo-5-methylphenoxy)methyl]-4-methyl-2-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=NC2=CCCC(C=C2S1)(C)C

DOS

IR

Vibrations