Geometry & MOs

Info

ID:	368892
PubChem CID:	127330863
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	6.4
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]-N-cyclopropylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CNC(=O)C2=CC3=C(CCC3)C=C2)C(=O)NC4CC4

DOS

IR

Vibrations