Geometry & MOs

Info

ID:	354170
PubChem CID:	127286111
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	5.26
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NCC3CCN(CC3)C(=O)C

DOS

IR

Vibrations