Geometry & MOs

Info

ID:	46044
PubChem CID:	10520696
Reduced:	SO2N8C12H14 (1)
Stoich.:	AB2C8D12E14 (1)
Weight, g/mol:	334.120509
ΔH_f, kcal/mol:	176.44
Dipole, Da:	17.53
IP(EA), eV:	-5.14(-3.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(phenylmethoxy)benzoic acid

Drug info:

PubChemData

Smile

CN1C(=O)N(N=C([N-]1)C2=CC=C(S2)C3=NN(C(=O)[N+](=N3)C)C)C

DOS

IR

Vibrations