Geometry & MOs

Info

ID:	161941
PubChem CID:	57393125
Reduced:	OSCl2N4H16C17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	15.07
Dipole, Da:	3.32
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate

Drug info:

PubChemData

Smile

C1CSCCN1C2=CC(=O)N3C=CN(C3=N2)CC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations