Geometry & MOs

Info

ID:	165429
PubChem CID:	74548498
Reduced:	N4O5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	413.151275
ΔH_f, kcal/mol:	-94.0
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.873806
Charge, e:	-1

Chem-info

IUPAC name:

(4-fluorophenyl)-[2-(furan-2-yl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(N(C2=COC(C(=C2N1)N=O)(C)C)[O-])N

DOS

IR

Vibrations