Geometry & MOs

Info

ID:	163025
PubChem CID:	57581406
Reduced:	NO5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	520.199822
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	3.94
IP(EA), eV:	-9.46(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanoyl]amino]-6-phenylpyridin-4-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

COCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations