Geometry & MOs

Info

ID:	300950
PubChem CID:	123055459
Reduced:	FN3O4C30H30 (1)
Stoich.:	AB3C4D30E30 (1)
Weight, g/mol:	483.204573
ΔH_f, kcal/mol:	-108.03
Dipole, Da:	5.24
IP(EA), eV:	-7.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)N4CCN(CC4)C)C5=CC=CC=C5F)/O

DOS

IR

Vibrations