Geometry & MOs

Info

ID:	399174
PubChem CID:	135038456
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	278.007137
ΔH_f, kcal/mol:	37.23
Dipole, Da:	4.24
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(thiophene-2-carbonylsulfanyl)benzoate

Drug info:

PubChemData

Smile

C#CCCCCC#CC1=C(CCC1)C=O

DOS

IR

Vibrations