Geometry & MOs

Info

ID:	86251
PubChem CID:	49883474
Reduced:	SCl2O3N4H18C21 (1)
Stoich.:	AB2C3D4E18F21 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-9.61
Dipole, Da:	6.83
IP(EA), eV:	-9.12(-0.99)
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]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations