Geometry & MOs

Info

ID:	46427
PubChem CID:	10524381
Reduced:	NSO6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-203.36
Dipole, Da:	7.82
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@H](CO)[C@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations