Geometry & MOs

Info

ID:

320764

PubChem CID:

126663270

Reduced:

NO3C13H27 (1)

Stoich.:

AB3C13D27 (1)

Weight, g/mol:

704.36663

ΔHf, kcal/mol:

-180.81

Dipole, Da:

5.12

IP(EA), eV:

 -9.59(1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-[2-[1-[3-[[2-methyl-4-[2-methyl-4-(methylamino)-4-oxobutan-2-yl]oxybutan-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)NC)OCCC(C)(C)OC

DOS

IR

Vibrations