Geometry & MOs

Info

ID:	159013
PubChem CID:	57244520
Reduced:	FNC28H40 (1)
Stoich.:	ABC28D40 (1)
Weight, g/mol:	139.009185
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	1.8
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-oxathiepine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCCC1=CN=C(C=C1)C2=C(C=C(C=C2)CCC3CCC(CC3)CCCC)F

DOS

IR

Vibrations