Geometry & MOs

Info

ID:	86102
PubChem CID:	49881847
Reduced:	S2O3N4C23H26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	466.186104
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	5.18
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-diethylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC(=C2)C(=O)OC)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations