Geometry & MOs

Info

ID:	86320
PubChem CID:	49884087
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	4.75
IP(EA), eV:	-8.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC)C2(COC3=CC=CC=C3O2)C

DOS

IR

Vibrations