Geometry & MOs

Info

ID:	44338
PubChem CID:	10502909
Reduced:	SN3O7C19H19 (1)
Stoich.:	AB3C7D19E19 (1)
Weight, g/mol:	433.188923
ΔH_f, kcal/mol:	-183.05
Dipole, Da:	7.9
IP(EA), eV:	-9.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]-phenylmethoxycarbonylamino]-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C=N/OCC3=CC=CC=C3)SC1)C(=O)O

DOS

IR

Vibrations