Geometry & MOs

Info

ID:	51454
PubChem CID:	12014124
Reduced:	NSO6C31H39 (1)
Stoich.:	ABC6D31E39 (1)
Weight, g/mol:	525.218509
ΔH_f, kcal/mol:	-218.63
Dipole, Da:	9.98
IP(EA), eV:	-9.21(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)COC(=O)[C@@H](CC(C)C)[C@@H](COCC3=CC=CC=C3)O

DOS

IR

Vibrations