Geometry & MOs

Info

ID:	321033
PubChem CID:	126664494
Reduced:	NC8H15 (1)
Stoich.:	AB8C15 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-6.67
Dipole, Da:	2.13
IP(EA), eV:	-9.34(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C=C[C@H]1CCCC[C@@H]1N

DOS

IR

Vibrations