Geometry & MOs

Info

ID:	365766
PubChem CID:	127318491
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	1.85
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-oxo-N-(6,7,8,9-tetrahydrobenzo[e][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC3=C2N=C(S3)NC(=O)C4CCOC4

DOS

IR

Vibrations