Geometry & MOs

Info

ID:	13655
PubChem CID:	396559
Reduced:	ClOSN2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	332.075012
ΔH_f, kcal/mol:	39.34
Dipole, Da:	5.13
IP(EA), eV:	-8.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-enylsulfanyl-5-[(4-chlorophenyl)methylidene]-3-prop-2-enylimidazol-4-one

Drug info:

PubChemData

Smile

CC=CCSC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CC=C

DOS

IR

Vibrations