Geometry & MOs

Info

ID:	404313
PubChem CID:	135065823
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	242.167065
ΔH_f, kcal/mol:	-80.0
Dipole, Da:	6.78
IP(EA), eV:	-10.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E,9E)-heptadeca-7,9-dien-11,13-diyn-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2(CO2)C

DOS

IR

Vibrations