Geometry & MOs

Info

ID:	132923
PubChem CID:	51447140
Reduced:	FIN3O3H17C19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	475.150526
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	4.67
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(2S)-2-(2,3-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2I)C3=CC=C(C=C3)F

DOS

IR

Vibrations