Geometry & MOs

Info

ID:	245990
PubChem CID:	103034299
Reduced:	O2Cl3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	322.068651
ΔH_f, kcal/mol:	-111.57
Dipole, Da:	2.66
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-3-(3-methoxy-3-methylbutyl)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(CCOC1=C(C=C(C=C1Cl)Cl)CCl)OC

DOS

IR

Vibrations