Geometry & MOs

Info

ID:	242855
PubChem CID:	99213395
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-168.57
Dipole, Da:	5.56
IP(EA), eV:	-9.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[4-(4-methylphenoxy)butanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C\C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations