Geometry & MOs

Info

ID:	430320
PubChem CID:	135170384
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	3.52
IP(EA), eV:	-9.44(0.09)
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]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C/C(=C(\CC12CC1CC(N2)C(=O)N)/F)/C3=CC=CC=C3

DOS

IR

Vibrations