Geometry & MOs

Info

ID:	86205
PubChem CID:	49882784
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	490.149718
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	1.64
IP(EA), eV:	-8.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)N2CCCC2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations