Geometry & MOs

Info

ID:

190869

PubChem CID:

78070542

Reduced:

OSiC6H7 (1)

Stoich.:

ABC6D7 (1)

Weight, g/mol:

304.051778

ΔHf, kcal/mol:

91.76

Dipole, Da:

2.02

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754103

Charge, e:

0

Chem-info

IUPAC name:

1-naphthalen-1-ylsulfonyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC[Si](C#C)C#C

DOS

IR

Vibrations