Geometry & MOs

Info

ID:	86009
PubChem CID:	49880992
Reduced:	S2N5O5C24H27 (1)
Stoich.:	A2B5C5D24E27 (1)
Weight, g/mol:	546.008695
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	11.41
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C)SC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations