Geometry & MOs

Info

ID:	86243
PubChem CID:	49883414
Reduced:	FSO3N4C23H23 (1)
Stoich.:	ABC3D4E23F23 (1)
Weight, g/mol:	453.11069
ΔH_f, kcal/mol:	-55.62
Dipole, Da:	6.2
IP(EA), eV:	-8.86(-0.86)
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-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations