Geometry & MOs

Info

ID:	327671
PubChem CID:	126690694
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	682.224991
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	9.55
IP(EA), eV:	-9.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-[4-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CNCC2=C1C(=CC=C2)C3=NC(=NO3)C4=CC=C(C=C4)CN(CC(=O)O)C=O

DOS

IR

Vibrations