Geometry & MOs

Info

ID:	150873
PubChem CID:	53790570
Reduced:	N2O7H12C14 (1)
Stoich.:	A2B7C12D14 (1)
Weight, g/mol:	466.96256
ΔH_f, kcal/mol:	-229.65
Dipole, Da:	6.51
IP(EA), eV:	-10.82(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bis(propylperoxy)phosphoryl-6-bromo-3-prop-2-enethioyl-4-sulfanylidenehexa-2,5-dienenitrile

Drug info:

PubChemData

Smile

C1=CC(=O)N(C1=O)CCC(=O)OC(=O)CCN2C(=O)C=CC2=O

DOS

IR

Vibrations