Geometry & MOs

Info

ID:	51452
PubChem CID:	12014122
Reduced:	NSO6C30H37 (1)
Stoich.:	ABC6D30E37 (1)
Weight, g/mol:	587.234159
ΔH_f, kcal/mol:	-212.05
Dipole, Da:	5.7
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)COC(=O)[C@@H](C)[C@H](CCCOCC3=CC=CC=C3)O

DOS

IR

Vibrations