Geometry & MOs

Info

ID:	86249
PubChem CID:	49883457
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	426.11619
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	4.48
IP(EA), eV:	-8.42(-0.58)
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)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations