Geometry & MOs

Info

ID:	433687
PubChem CID:	135173827
Reduced:	NOSC10H17 (1)
Stoich.:	ABCD10E17 (1)
Weight, g/mol:	154.045236
ΔH_f, kcal/mol:	4.66
Dipole, Da:	3.74
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-but-2-en-2-yl]-2H-thiophen-5-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C1CCSC1=C)N=O

DOS

IR

Vibrations