Geometry & MOs

Info

ID:	434905
PubChem CID:	135175950
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	467.087054
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	2.39
IP(EA), eV:	-9.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-1-[5-chloro-7-fluoro-6-(3-hydroxynaphthalen-1-yl)-2,1-benzothiazol-3-yl]-2-methylazetidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(=O)/C=C/C(C)(C)N

DOS

IR

Vibrations