Geometry & MOs

Info

ID:	34266
PubChem CID:	7890572
Reduced:	FNSO6C16H16 (1)
Stoich.:	ABCD6E16F16 (1)
Weight, g/mol:	420.135508
ΔH_f, kcal/mol:	-235.96
Dipole, Da:	9.77
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations