Geometry & MOs

Info

ID:	300957
PubChem CID:	123058741
Reduced:	SN2O5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	454.189257
ΔH_f, kcal/mol:	-111.09
Dipole, Da:	9.93
IP(EA), eV:	-9.43(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4Z)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations