Geometry & MOs

Info

ID:	404445
PubChem CID:	135066303
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	349.098394
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	4.56
IP(EA), eV:	-9.58(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@](CCCC1=CC=CC=C1)([C@@H](C#N)O)O

DOS

IR

Vibrations