Geometry & MOs

Info

ID:	214742
PubChem CID:	85083508
Reduced:	NO3C17H28 (2)
Stoich.:	AB3C17D28 (2)
Weight, g/mol:	598.242749
ΔH_f, kcal/mol:	-327.94
Dipole, Da:	2.58
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]-3-[4-[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCOCC12C(C(C(O1)CCCN3CCCCC3)OC(=O)NC4=CC=C(C=C4)C)OC(O2)(C)C

DOS

IR

Vibrations