Geometry & MOs

Info

ID:	60046
PubChem CID:	26666807
Reduced:	O4N5C22H31 (1)
Stoich.:	A4B5C22D31 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-169.46
Dipole, Da:	8.1
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethylphenoxy)ethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCN(CC2)CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

DOS

IR

Vibrations