Geometry & MOs

Info

ID:	51458
PubChem CID:	12014128
Reduced:	NSO5C24H33 (1)
Stoich.:	ABC5D24E33 (1)
Weight, g/mol:	491.176644
ΔH_f, kcal/mol:	-211.72
Dipole, Da:	5.92
IP(EA), eV:	-9.34(-0.45)
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-phenylpent-4-ynoate

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](CC(C)C)O

DOS

IR

Vibrations