Geometry & MOs

Info

ID:	221572
PubChem CID:	85279998
Reduced:	NOSH9C11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	26.05
Dipole, Da:	2.94
IP(EA), eV:	-9.22(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trideca-7,12-dien-2-yne-4,9-dione

Drug info:

PubChemData

Smile

C1C2C1(C(=O)NC2=S)C3=CC=CC=C3

DOS

IR

Vibrations