Geometry & MOs

Info

ID:	56210
PubChem CID:	17422563
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	5.03
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methylbenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=N3)OC

DOS

IR

Vibrations