Geometry & MOs

Info

ID:	336888
PubChem CID:	127255895
Reduced:	ClNO2C8H14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	614.259332
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	7.77
IP(EA), eV:	-10.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-indolo[1,2-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

C1CC1CNC/C=C/C(=O)O.Cl

DOS

IR

Vibrations