Geometry & MOs

Info

ID:	299144
PubChem CID:	117672710
Reduced:	BrN2H21C24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	656.2516
ΔH_f, kcal/mol:	95.35
Dipole, Da:	5.45
IP(EA), eV:	-8.99(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(=C1N2C=CN=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations