Geometry & MOs

Info

ID:	166839
PubChem CID:	74741057
Reduced:	F2N4O5C20H28 (1)
Stoich.:	A2B4C5D20E28 (1)
Weight, g/mol:	446.100655
ΔH_f, kcal/mol:	-253.71
Dipole, Da:	6.6
IP(EA), eV:	-7.53(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4-chlorophenyl)-[1-(2-hydroxyethyl)-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CCC[N+]1=C(C(C(=O)N(C1=O)C)C(=O)C[NH+](C)CC2=CC(=C(C=C2)OC(F)F)OC)N

DOS

IR

Vibrations