Geometry & MOs

Info

ID:

146151

PubChem CID:

53644865

Reduced:

N3P3O27C130H212 (1)

Stoich.:

A3B3C27D130E212 (1)

Weight, g/mol:

330.105467

ΔHf, kcal/mol:

-1306.98

Dipole, Da:

12.94

IP(EA), eV:

 -8.26(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-dibutoxyphosphinothioyloxybenzaldehyde

Drug info:

PubChemData

Smile

CC.CCCCCCCCC1C(O1)CCCCCCCC(=O)OCCCCCCCC.CCCCCCCCOC(=O)CC(=O)OCCCCCCCC.CCCCOC(=O)CC(=O)OCCCC.CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC.CC1=CC=C(C=C1)O.CC1=CC(=C(C=C1)O)N2N3N2C4=CC=CC=C43.CC(CCC(C)(C)C)COP=O.COP=O.C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3.C1=CC=C(C=C1)OP=O

DOS

IR

Vibrations