Geometry & MOs

Info

ID:	221490
PubChem CID:	85273774
Reduced:	BrOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	311.100502
ΔH_f, kcal/mol:	16.09
Dipole, Da:	5.04
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-4,6-dihydroxyheptanedioic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(C(S2)CN3C=CN=C3)O

DOS

IR

Vibrations