Geometry & MOs

Info

ID:	86362
PubChem CID:	49884528
Reduced:	S2O3N4H26C28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	24.7
Dipole, Da:	3.28
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

DOS

IR

Vibrations