Geometry & MOs

Info

ID:	334589
PubChem CID:	127253264
Reduced:	N3O7C28H33 (1)
Stoich.:	A3B7C28D33 (1)
Weight, g/mol:	460.163436
ΔH_f, kcal/mol:	-240.55
Dipole, Da:	3.93
IP(EA), eV:	-8.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-quinolin-6-ylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCN3C(=O)[C@@H]4CC5=CC(=C(C=C5CN4C3=O)OC)OC)OC

DOS

IR

Vibrations