Geometry & MOs

Info

ID:	327801
PubChem CID:	126691084
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	444.039618
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	2.27
IP(EA), eV:	-8.87(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-sulfooxybutoxy)-5-(3-sulfooxypropoxy)benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCCN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24

DOS

IR

Vibrations