Geometry & MOs

Info

ID:	51450
PubChem CID:	12014120
Reduced:	NSO6C28H33 (1)
Stoich.:	ABC6D28E33 (1)
Weight, g/mol:	525.218509
ΔH_f, kcal/mol:	-203.52
Dipole, Da:	7.99
IP(EA), eV:	-9.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] (2S,3S)-3-hydroxy-2-methyl-5-phenylmethoxypentanoate

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](COCC3=CC=CC=C3)O

DOS

IR

Vibrations