Geometry & MOs

Info

ID:	29615
PubChem CID:	835802
Reduced:	BrNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	260.098334
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	4.62
IP(EA), eV:	-8.92(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations