Geometry & MOs

Info

ID:	148037
PubChem CID:	53787699
Reduced:	NF2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	459.044644
ΔH_f, kcal/mol:	-132.59
Dipole, Da:	1.74
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzamido-2-[2-(2-sulfophenyl)ethenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)N2C(=CC(=C2O)CF)O

DOS

IR

Vibrations