Geometry & MOs

Info

ID:	41794
PubChem CID:	8147120
Reduced:	NO4H19C24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	387.080826
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	5.54
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3)C4=CC=CC=C41

DOS

IR

Vibrations