Geometry & MOs

Info

ID:	444359
PubChem CID:	135262190
Reduced:	F2O3N7H21C23 (1)
Stoich.:	A2B3C7D21E23 (1)
Weight, g/mol:	525.140848
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	3.97
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropoxy)propan-2-yl]anilino]-2-oxoethyl]phenyl]ethanesulfinic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCNC(=O)C1=C(C=CN=C1)NC2=NC(=NN3C2=CC=C3)C4=NC(=CC=C4)C(F)F

DOS

IR

Vibrations