Geometry & MOs

Info

ID:	167458
PubChem CID:	74830327
Reduced:	O3N4C33H38 (1)
Stoich.:	A3B4C33D38 (1)
Weight, g/mol:	366.120213
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	3.99
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-5-[[4-(3-fluorophenyl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)CCOC

DOS

IR

Vibrations