Geometry & MOs

Info

ID:	334526
PubChem CID:	127253201
Reduced:	ClN3O6C24H24 (1)
Stoich.:	AB3C6D24E24 (1)
Weight, g/mol:	469.173667
ΔH_f, kcal/mol:	-174.1
Dipole, Da:	5.79
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-dimethoxyphenyl)-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC(=O)NC4=CC=CC=N4

DOS

IR

Vibrations