Geometry & MOs

Info

ID:

168307

PubChem CID:

74950519

Reduced:

ON4C9H9 (2)

Stoich.:

AB4C9D9 (2)

Weight, g/mol:

689.309449

ΔHf, kcal/mol:

104.42

Dipole, Da:

3.62

IP(EA), eV:

 -8.21(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 7-[[5-amino-1-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-7-oxo-6-(3-thiophen-3-ylprop-2-enoylamino)hept-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NN=C(N)N)C2=CC=C(O2)C3=CC=C(O3)C=NN=C(N)N

DOS

IR

Vibrations