Geometry & MOs

Info

ID:	86224
PubChem CID:	49883120
Reduced:	S2N3O5H19C22 (1)
Stoich.:	A2B3C5D19E22 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	1.73
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations