Geometry & MOs

Info

ID:

164613

PubChem CID:

74426160

Reduced:

N2O5C12H24 (1)

Stoich.:

A2B5C12D24 (1)

Weight, g/mol:

698.405673

ΔHf, kcal/mol:

-260.97

Dipole, Da:

2.71

IP(EA), eV:

 -10.0(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[[[2-[[N-[N-(diethylcarbamoyl)-C-phenylcarbonimidoyl]-C-phenylcarbonimidoyl]-methylamino]ethyl-methylamino]-phenylmethylidene]amino]-phenylmethylidene]-1,1-diethylurea

Drug info:

PubChemData

Smile

CCC(CO)NC(=O)CNC(=O)C(C(C)(C)CO)O

DOS

IR

Vibrations