Geometry & MOs

Info

ID:	218602
PubChem CID:	85089672
Reduced:	BrFSN2O4C20H21 (1)
Stoich.:	ABCD2E4F20G21 (1)
Weight, g/mol:	484.272718
ΔH_f, kcal/mol:	-177.91
Dipole, Da:	4.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766981
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-tributylstannylhept-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=C2C(C=C(S2)C(C)C)C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations