Geometry & MOs

Info

ID:

222936

PubChem CID:

85333300

Reduced:

N9O10C28H39 (1)

Stoich.:

A9B10C28D39 (1)

Weight, g/mol:

663.345441

ΔHf, kcal/mol:

-416.96

Dipole, Da:

8.89

IP(EA), eV:

 -9.31(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-methyl-1-[4-[[4-(octylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenyl]propan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)NC(CO)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)N)O

DOS

IR

Vibrations