Geometry & MOs

Info

ID:	408279
PubChem CID:	135081043
Reduced:	NSO2C14H29 (1)
Stoich.:	ABC2D14E29 (1)
Weight, g/mol:	298.02046
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	1.99
IP(EA), eV:	-8.4(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-bromophenyl)-2-oxopentanoate

Drug info:

PubChemData

Smile

CCOC(CCCCCN1CCSCC1)OCC

DOS

IR

Vibrations