Geometry & MOs

Info

ID:	381484
PubChem CID:	134972239
Reduced:	PO2C22H36 (1)
Stoich.:	AB2C22D36 (1)
Weight, g/mol:	414.158082
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	10.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754567
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3,4-dimethyl-5-(tributylstannylmethylidene)furan-2-one

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)/C(=C/C(=O)OC)/C1=CC=CC=C1

DOS

IR

Vibrations