Geometry & MOs

Info

ID:	314762
PubChem CID:	126623019
Reduced:	ClFO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-107.24
Dipole, Da:	3.95
IP(EA), eV:	-9.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-yl)-3-acetylindazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C/C(=C(/C(=O)O)\F)/C1=CC=CC=C1Cl

DOS

IR

Vibrations