Geometry & MOs

Info

ID:	163037
PubChem CID:	57581442
Reduced:	N2O3H24C27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	492.168522
ΔH_f, kcal/mol:	-29.65
Dipole, Da:	6.99
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4

DOS

IR

Vibrations