Geometry & MOs

Info

ID:	13656
PubChem CID:	396560
Reduced:	ON2S2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	304.070405
ΔH_f, kcal/mol:	52.56
Dipole, Da:	2.73
IP(EA), eV:	-8.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-enylsulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one

Drug info:

PubChemData

Smile

CC=CCSC1=NC(=CC2=CC=CS2)C(=O)N1CC=C

DOS

IR

Vibrations