Geometry & MOs

Info

ID:	38286
PubChem CID:	8029193
Reduced:	N2O5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	6.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.830671
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C[NH+](C)CCN1[C@@H](C2=C(C1=O)OC3=C(C2=O)C=CC(=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations