Geometry & MOs

Info

ID:

160375

PubChem CID:

57309723

Reduced:

N2O5C40H48 (1)

Stoich.:

A2B5C40D48 (1)

Weight, g/mol:

500.245727

ΔHf, kcal/mol:

-126.26

Dipole, Da:

2.15

IP(EA), eV:

 -8.6(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2-[3-[(2-amino-3-sulfanylpropyl)amino]-6-phenylpyridin-2-yl]oxypropanoylamino]methyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC(C2=CC=CC=C2)(OC3=CC=CC=C3)OC(C4=CC=CC=C4)(OCCN5CCCCC5)OC6=CC=CC=C6

DOS

IR

Vibrations