Geometry & MOs

Info

ID:	129540
PubChem CID:	51073012
Reduced:	ClOSN5C15H16 (1)
Stoich.:	ABCD5E15F16 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	70.33
Dipole, Da:	4.13
IP(EA), eV:	-8.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CSC2=NN=C(N2C)COC3=CC=CC=C3Cl

DOS

IR

Vibrations