Geometry & MOs

Info

ID:	166325
PubChem CID:	74670487
Reduced:	O2N5H15C18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	412.133102
ΔH_f, kcal/mol:	40.09
Dipole, Da:	5.13
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C=N2)C(=O)NCCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations