Geometry & MOs

Info

ID:	86250
PubChem CID:	49883464
Reduced:	FSO3N4H19C21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	476.047667
ΔH_f, kcal/mol:	-41.64
Dipole, Da:	4.64
IP(EA), eV:	-9.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations