Geometry & MOs

Info

ID:	300955
PubChem CID:	123058738
Reduced:	ClNO3H24C27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	483.204573
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	7.06
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations