Geometry & MOs

Info

ID:	146146
PubChem CID:	53643517
Reduced:	ClOF2H21C23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	410.161054
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	2.43
IP(EA), eV:	-9.31(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-bis(methoxycarbonyl)-2,2,6-trimethyloctanoyl]oxyethanesulfonic acid

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC(=CC(=C1)F)OC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations