Geometry & MOs

Info

ID:	29760
PubChem CID:	836953
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	280.043712
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	4.74
IP(EA), eV:	-9.77(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(C)C

DOS

IR

Vibrations