Geometry & MOs

Info

ID:	61494
PubChem CID:	26709954
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	448.166808
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	5.73
IP(EA), eV:	-8.17(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-methoxy-5-methylphenyl)hexanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations