Geometry & MOs

Info

ID:

215300

PubChem CID:

85084510

Reduced:

O11N12C33H60 (1)

Stoich.:

A11B12C33D60 (1)

Weight, g/mol:

801.377703

ΔHf, kcal/mol:

-526.6

Dipole, Da:

9.73

IP(EA), eV:

 -9.37(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[4-[2-acetamido-3-[[1-[3-cyclohexylpropyl(methyl)amino]-5-(2,2-dimethylpropanoyloxymethoxy)-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]-(2,2-dimethylpropanoyloxy)phosphinic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations