Geometry & MOs

Info

ID:

214782

PubChem CID:

85083632

Reduced:

P3N5O14C16H28 (1)

Stoich.:

A3B5C14D16E28 (1)

Weight, g/mol:

607.239061

ΔHf, kcal/mol:

-752.72

Dipole, Da:

6.97

IP(EA), eV:

 -8.85(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-amino-3-(2-nitrophenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCOC1=NC2=C(N=CN=C2N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

DOS

IR

Vibrations