Geometry & MOs

Info

ID:	161910
PubChem CID:	57393038
Reduced:	NO4C31H31 (1)
Stoich.:	AB4C31D31 (1)
Weight, g/mol:	506.220557
ΔH_f, kcal/mol:	-97.51
Dipole, Da:	5.84
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)OC1=CC=CC(=C1)CCCN2C=C(C=CC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations