Geometry & MOs

Info

ID:	387519
PubChem CID:	134985673
Reduced:	NPSO4C11H22 (1)
Stoich.:	ABCD4E11F22 (1)
Weight, g/mol:	252.100643
ΔH_f, kcal/mol:	-249.76
Dipole, Da:	5.42
IP(EA), eV:	-8.88(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-3-propyl-1,5-dihydro-2,4-benzodithiepine

Drug info:

PubChemData

Smile

CCOP(=O)(C1C(OC(=S)N1)C(C)(C)C)OCC

DOS

IR

Vibrations