Geometry & MOs

Info

ID:

222920

PubChem CID:

85333165

Reduced:

SN5O7H31C32 (1)

Stoich.:

AB5C7D31E32 (1)

Weight, g/mol:

629.295531

ΔHf, kcal/mol:

-149.05

Dipole, Da:

0.43

IP(EA), eV:

 -9.15(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[4-amino-1-[[1-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1OS(=O)(=O)C)N2C=NC3=C(N=CN=C32)N)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations