Geometry & MOs

Info

ID:	151354
PubChem CID:	53801125
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	423.9245
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	3.17
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4-chlorosulfonylphenoxy)-5-methylsulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C)NC(=O)[C@@H](C)OC2=C(C=CC(=N2)C3=CC=CC=C3)NCC(CS)N

DOS

IR

Vibrations