Geometry & MOs

Info

ID:	59654
PubChem CID:	24891618
Reduced:	OF3N5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	425.04088
ΔH_f, kcal/mol:	-98.17
Dipole, Da:	7.27
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C#N)N=CN2C)C(F)(F)F

DOS

IR

Vibrations