Geometry & MOs

Info

ID:	192391
PubChem CID:	78263802
Reduced:	N2F3O4C13H15 (1)
Stoich.:	A2B3C4D13E15 (1)
Weight, g/mol:	419.106553
ΔH_f, kcal/mol:	-305.05
Dipole, Da:	13.17
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCO)C(F)(F)F

DOS

IR

Vibrations