Geometry & MOs

Info

ID:	86266
PubChem CID:	49883609
Reduced:	FSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	5.79
IP(EA), eV:	-8.84(-0.81)
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-(2,4-dimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1F)SC2=NN=C(N2CC)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations