Geometry & MOs

Info

ID:	120759
PubChem CID:	50743702
Reduced:	ClFNO2H15C22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	437.143864
ΔH_f, kcal/mol:	-41.19
Dipole, Da:	3.1
IP(EA), eV:	-8.97(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations