Geometry & MOs

Info

ID:	334090
PubChem CID:	127252642
Reduced:	O4N5H21C23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	530.168916
ΔH_f, kcal/mol:	-21.65
Dipole, Da:	3.92
IP(EA), eV:	-8.32(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CN1C(=NC=N1)NCCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations