Geometry & MOs

Info

ID:	123564
PubChem CID:	50854260
Reduced:	ClFSN2O2H16C18 (1)
Stoich.:	ABCD2E2F16G18 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	7.66
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E)-2,5-dioxo-4-[(1-propan-2-ylpyrrol-3-yl)methylidene]imidazolidin-1-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations