Geometry & MOs

Info

ID:	335917
PubChem CID:	127254779
Reduced:	OS2N5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	81.34
Dipole, Da:	6.02
IP(EA), eV:	-8.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)C3=CSC(=N3)N4C=CC=C4

DOS

IR

Vibrations