Geometry & MOs

Info

ID:	166658
PubChem CID:	74723090
Reduced:	NO7C25H28 (1)
Stoich.:	AB7C25D28 (1)
Weight, g/mol:	470.192725
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	9.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.807494
Charge, e:	-1

Chem-info

IUPAC name:

[2-(furan-2-yl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCOC)C3=C(C=CC(=C3)OC)OC)[O-])OC

DOS

IR

Vibrations