Geometry & MOs

Info

ID:	221614
PubChem CID:	85285716
Reduced:	PN3O11C23H34 (1)
Stoich.:	AB3C11D23E34 (1)
Weight, g/mol:	559.220617
ΔH_f, kcal/mol:	-565.33
Dipole, Da:	1.44
IP(EA), eV:	-9.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxycarbonyl-4-[3-(2-phenylethoxy)benzoyl]-1-phenylmethoxycarbonylpyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)NCCCCCCC(=O)O

DOS

IR

Vibrations