Geometry & MOs

Info

ID:	35359
PubChem CID:	7979752
Reduced:	ClNO4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-41.35
Dipole, Da:	4.41
IP(EA), eV:	-9.39(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-hydroxy-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations