Geometry & MOs

Info

ID:	392421
PubChem CID:	135015958
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	289.150036
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	3.95
IP(EA), eV:	-9.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-3-ynyl-oxo-pent-4-enylimino-phenyl-lambda6-sulfane

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3(C1=O)COC(=O)C3(C=C=C)C=O

DOS

IR

Vibrations