Geometry & MOs

Info

ID:

147826

PubChem CID:

53787484

Reduced:

ClNO2C25H30 (1)

Stoich.:

ABC2D25E30 (1)

Weight, g/mol:

563.243872

ΔHf, kcal/mol:

-57.27

Dipole, Da:

4.22

IP(EA), eV:

 -8.24(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[2-[[(2R,3R,4R,5R)-5-acetamido-1,2,3-trihydroxy-6-oxoheptan-4-yl]oxycarbonylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(=C2CN3CCC[C@H](C3)Cl)C)C)OCC4=CC=CC=C4)C

DOS

IR

Vibrations