Geometry & MOs

Info

ID:	445583
PubChem CID:	135268322
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	112.034671
ΔH_f, kcal/mol:	-115.54
Dipole, Da:	5.49
IP(EA), eV:	-9.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4,5-didehydro-3,6-dihydro-2H-thiopyran

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C#CC)CN(CC(=O)O)CC(=O)O

DOS

IR

Vibrations