Geometry & MOs

Info

ID:	54360
PubChem CID:	17114859
Reduced:	BrSO3N4H19C23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	1.85
Dipole, Da:	8.04
IP(EA), eV:	-8.87(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-1,3-benzothiazol-2-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C3=NC4=C(O3)C=CC=N4)C)Br

DOS

IR

Vibrations