Geometry & MOs

Info

ID:	13654
PubChem CID:	396558
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	40.72
Dipole, Da:	2.26
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations