Geometry & MOs

Info

ID:	438080
PubChem CID:	135227651
Reduced:	ClISN3O3C17H25 (1)
Stoich.:	ABCD3E3F17G25 (1)
Weight, g/mol:	467.175789
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	6.62
IP(EA), eV:	-7.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-chloro-5-methyl-2-(3-methylimidazol-4-yl)phenoxy]methyl]-4-methyl-2-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)I)OCC2=NN(C(=O)N2C)COCCS(C)(C)C

DOS

IR

Vibrations