Geometry & MOs

Info

ID:	185776
PubChem CID:	77345582
Reduced:	OF4C43H54 (1)
Stoich.:	AB4C43D54 (1)
Weight, g/mol:	315.041273
ΔH_f, kcal/mol:	-229.84
Dipole, Da:	2.71
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzenesulfinyl(carboxy)amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)C5=C(C(=C(C=C5)OCCC=CC)F)F)F)F

DOS

IR

Vibrations