Geometry & MOs

Info

ID:	59663
PubChem CID:	24892476
Reduced:	ClF3O3N5C27H27 (1)
Stoich.:	AB3C3D5E27F27 (1)
Weight, g/mol:	475.123563
ΔH_f, kcal/mol:	-213.03
Dipole, Da:	2.18
IP(EA), eV:	-8.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=NC3=C2N(C(=O)C(N3)CC4=CC=CC=C4)CC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations