Geometry & MOs

Info

ID:

222808

PubChem CID:

85332589

Reduced:

SN2O3C12H17 (2)

Stoich.:

AB2C3D12E17 (2)

Weight, g/mol:

540.27097

ΔHf, kcal/mol:

-212.77

Dipole, Da:

7.76

IP(EA), eV:

 -8.77(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-[1-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)O)O

DOS

IR

Vibrations