Geometry & MOs

Info

ID:	161946
PubChem CID:	57393134
Reduced:	ClN3O5H22C25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	536.231122
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	8.89
IP(EA), eV:	-9.25(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)O)CCCNC(=O)C2=C3C(=C(C=C2)O)NC(=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations