Geometry & MOs

Info

ID:	220019
PubChem CID:	85165151
Reduced:	PCl2N2O5C32H39 (1)
Stoich.:	AB2C2D5E32F39 (1)
Weight, g/mol:	633.272653
ΔH_f, kcal/mol:	-245.37
Dipole, Da:	4.8
IP(EA), eV:	-9.58(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 2-O-ethyl 4-[3-(3,3-diphenylpropoxy)benzoyl]-3-(2-oxoethyl)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(O)P(=O)(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations