Geometry & MOs

Info

ID:	441435
PubChem CID:	135234674
Reduced:	S5C12H36 (1)
Stoich.:	A5B12C36 (1)
Weight, g/mol:	494.157262
ΔH_f, kcal/mol:	45.86
Dipole, Da:	10.62
IP(EA), eV:	-4.91(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-5-fluoro-4-[2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CS(C)(C)S(S(C)(C)C)(S(C)(C)C)S(C)(C)C

DOS

IR

Vibrations