Geometry & MOs

Info

ID:	86242
PubChem CID:	49883380
Reduced:	SN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	454.14749
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	4.03
IP(EA), eV:	-8.9(-0.59)
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-(4-fluorophenyl)butanamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations