Geometry & MOs

Info

ID:

224165

PubChem CID:

85339023

Reduced:

ClFSP3N4O13C30H59 (1)

Stoich.:

ABCD3E4F13G30H59 (1)

Weight, g/mol:

868.392661

ΔHf, kcal/mol:

-855.31

Dipole, Da:

5.69

IP(EA), eV:

 -8.08(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-amino-3-carboxypropanoyl)amino]-5-[[1-[[1-[[3-carboxy-1-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.C1=C(C=C2C(=C1F)N=C(S2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Cl

DOS

IR

Vibrations