Geometry & MOs

Info

ID:	407108
PubChem CID:	135079346
Reduced:	NO2C27H29 (1)
Stoich.:	AB2C27D29 (1)
Weight, g/mol:	256.055801
ΔH_f, kcal/mol:	3.58
Dipole, Da:	6.05
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenacylsulfanylbenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCCC2)C=C1)C#CC(=O)N(CC3=CC=CC=C3)C4=CCCCC4

DOS

IR

Vibrations