Geometry & MOs

Info

ID:	159811
PubChem CID:	57288775
Reduced:	ClO3N7H20C23 (1)
Stoich.:	AB3C7D20E23 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	80.48
Dipole, Da:	4.92
IP(EA), eV:	-9.34(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-2-oxo-3-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidenemethyl)indol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1N=C(N(O1)OC)C2=C3C(=O)N(C4=C(N3C=N2)C=CC(=C4C#N)Cl)CC5=CC=CC=N5

DOS

IR

Vibrations