Geometry & MOs

Info

ID:	427948
PubChem CID:	135165542
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	467.087054
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	3.47
IP(EA), eV:	-8.01(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-chloro-7-fluoro-6-(3-methoxynaphthalen-1-yl)-2,1-benzothiazol-3-yl]azetidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC)O

DOS

IR

Vibrations