Geometry & MOs

Info

ID:	244673
PubChem CID:	99376351
Reduced:	BrN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	434.130028
ΔH_f, kcal/mol:	-121.5
Dipole, Da:	1.21
IP(EA), eV:	-9.45(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(propanoylamino)benzamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations