Geometry & MOs

Info

ID:	32592
PubChem CID:	7846935
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	4.55
IP(EA), eV:	-9.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations