Geometry & MOs

Info

ID:	86234
PubChem CID:	49883228
Reduced:	S2N3O4H19C25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	510.035388
ΔH_f, kcal/mol:	3.85
Dipole, Da:	5.0
IP(EA), eV:	-9.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4O3)CS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations