Geometry & MOs

Info

ID:	86265
PubChem CID:	49883608
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	442.14749
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	2.76
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)butanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NCC(C)C)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations