Geometry & MOs

Info

ID:	167988
PubChem CID:	74909689
Reduced:	FO5N8H19C20 (1)
Stoich.:	AB5C8D19E20 (1)
Weight, g/mol:	426.116877
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	1.68
IP(EA), eV:	-9.03(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C3NC4C(CNN4C5=CC=CC=C5F)C(=O)N3

DOS

IR

Vibrations