Geometry & MOs

Info

ID:	80940
PubChem CID:	49853977
Reduced:	ClSO3N4C27H31 (1)
Stoich.:	ABC3D4E27F31 (1)
Weight, g/mol:	540.19619
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	3.76
IP(EA), eV:	-8.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCN1C(=O)CC2=CC(=C(C=C21)Cl)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

DOS

IR

Vibrations