Geometry & MOs

Info

ID:	300708
PubChem CID:	123050952
Reduced:	ClFNO3H23C27 (1)
Stoich.:	ABCD3E23F27 (1)
Weight, g/mol:	515.210801
ΔH_f, kcal/mol:	-100.6
Dipole, Da:	7.49
IP(EA), eV:	-9.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-[(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations