Geometry & MOs

Info

ID:	145659
PubChem CID:	53565729
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	17.68
Dipole, Da:	7.8
IP(EA), eV:	-9.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CCN(C2)C(=O)C(C)OC3=CC=CC(=C3)C#N

DOS

IR

Vibrations