Geometry & MOs

Info

ID:	294752
PubChem CID:	117488572
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	1.61
IP(EA), eV:	-8.0(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-1,3-benzothiazol-5-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=C3CCCOC3=C(C4=C2OCCC4)OC)N

DOS

IR

Vibrations