Geometry & MOs

Info

ID:	424492
PubChem CID:	135122878
Reduced:	FNSO3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-150.1
Dipole, Da:	6.38
IP(EA), eV:	-9.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;(4-methylphenyl)sulfonyl (2S)-2-amino-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN1)CF

DOS

IR

Vibrations