Geometry & MOs

Info

ID:	232514
PubChem CID:	87576344
Reduced:	ClSO3N6C23H23 (1)
Stoich.:	ABC3D6E23F23 (1)
Weight, g/mol:	752.279725
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	8.84
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis[4-[N-formyl-2-[4-(trifluoromethyl)phenyl]anilino]piperidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CN=C3C(=C2C)C=CN3)N4CC(C5=C4N=C(N=C5Cl)N)CO

DOS

IR

Vibrations