Geometry & MOs

Info

ID:	162500
PubChem CID:	57394872
Reduced:	SN2O5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	522.215472
ΔH_f, kcal/mol:	-142.49
Dipole, Da:	2.27
IP(EA), eV:	-8.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)NC(=O)N(C2=O)C/C=C/C3=CC=C(C=C3)OC)CCC4=CC=CC=C4

DOS

IR

Vibrations