Geometry & MOs

Info

ID:

214650

PubChem CID:

85083340

Reduced:

ClSO4N5C28H28 (1)

Stoich.:

ABC4D5E28F28 (1)

Weight, g/mol:

566.27405

ΔHf, kcal/mol:

-50.33

Dipole, Da:

6.39

IP(EA), eV:

 -8.64(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(diaminomethylideneamino)-N-[5-hydroxy-2-[(3-hydroxyphenyl)methoxy]-4-methoxy-6-(naphthalen-2-ylmethoxymethyl)oxan-3-yl]butanamide

Drug info:

PubChemData

Smile

C1COCCN1CC2C(=O)N(C(=S)N(C2=O)N=CC3=CC=CC=C3Cl)C(=O)CCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations