Geometry & MOs

Info

ID:	144925
PubChem CID:	53433397
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	4.44
IP(EA), eV:	-8.76(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-N-pyridin-3-ylformamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(C=O)C2CCCC2C3=CC=CC=C3

DOS

IR

Vibrations