Geometry & MOs

Info

ID:	86246
PubChem CID:	49883441
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-13.68
Dipole, Da:	4.1
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCCSC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations