Geometry & MOs

Info

ID:	161334
PubChem CID:	57391364
Reduced:	Cl2O2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	5.13
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-benzamidopropyl] (2R)-2-benzamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N3C=CN(C3=N2)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations