Geometry & MOs

Info

ID:	390904
PubChem CID:	135001516
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	196.055801
ΔH_f, kcal/mol:	-43.43
Dipole, Da:	8.09
IP(EA), eV:	-9.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-acetylthiophen-2-yl)-2-methylpropanal

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)C1=CC=CC=C1C2=C(C=CC=N2)C

DOS

IR

Vibrations