Geometry & MOs

Info

ID:

214645

PubChem CID:

85083333

Reduced:

PSN5O12C18H26 (1)

Stoich.:

ABC5D12E18F26 (1)

Weight, g/mol:

565.278801

ΔHf, kcal/mol:

-561.89

Dipole, Da:

7.44

IP(EA), eV:

 -9.96(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl]-2-[[2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=S)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)O)O

DOS

IR

Vibrations