Geometry & MOs

Info

ID:	46456
PubChem CID:	10524485
Reduced:	NSF4O4H13C16 (1)
Stoich.:	ABC4D4E13F16 (1)
Weight, g/mol:	391.159515
ΔH_f, kcal/mol:	-323.71
Dipole, Da:	6.02
IP(EA), eV:	-9.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(2,3-difluorophenyl)-2-methyl-2-[[(1S)-2-methyl-1-phenylpropoxy]carbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)F)(C(F)(F)F)O

DOS

IR

Vibrations