Geometry & MOs

Info

ID:	185199
PubChem CID:	77268509
Reduced:	ClNO2H15C16 (2)
Stoich.:	ABC2D15E16 (2)
Weight, g/mol:	488.231122
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	3.85
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC(OC2=C1C=C(C(=N2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl)(C)COCC5=CC=CC=C5)O

DOS

IR

Vibrations