Geometry & MOs

Info

ID:

222724

PubChem CID:

85332155

Reduced:

FNO6C27H38 (1)

Stoich.:

ABC6D27E38 (1)

Weight, g/mol:

492.27097

ΔHf, kcal/mol:

-294.46

Dipole, Da:

7.03

IP(EA), eV:

 -9.59(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-[3-[[3-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]benzoyl]amino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC1C(C(OCCC(=CCC(OC(=O)CC(C(C1=O)(C)C)O)C(=CC2=CC=CC=N2)F)C)C)O

DOS

IR

Vibrations