Geometry & MOs

Info

ID:	335623
PubChem CID:	127254485
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	20.75
Dipole, Da:	5.86
IP(EA), eV:	-8.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCN2C=CC=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations