Geometry & MOs

Info

ID:	137129
PubChem CID:	52155963
Reduced:	FN2O3C27H31 (1)
Stoich.:	AB2C3D27E31 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-122.6
Dipole, Da:	7.8
IP(EA), eV:	-8.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(2,5-dimethoxyphenyl)-4,5-dioxo-1-(2-pyrrolidin-1-ium-1-ylethyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@@H]2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCN4CCCC4

DOS

IR

Vibrations