Geometry & MOs

Info

ID:	13653
PubChem CID:	396557
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	7.83
Dipole, Da:	1.28
IP(EA), eV:	-8.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations