Geometry & MOs

Info

ID:	393679
PubChem CID:	135021467
Reduced:	NO3F4H13C22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	419.119129
ΔH_f, kcal/mol:	-234.51
Dipole, Da:	3.91
IP(EA), eV:	-9.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations