Geometry & MOs

Info

ID:	64711
PubChem CID:	29203891
Reduced:	FON4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	428.198108
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	4.59
IP(EA), eV:	-8.33(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-propan-2-yloxypropyl)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C

DOS

IR

Vibrations