Geometry & MOs

Info

ID:

219162

PubChem CID:

85091123

Reduced:

S2N6O8C27H42 (1)

Stoich.:

A2B6C8D27E42 (1)

Weight, g/mol:

645.285736

ΔHf, kcal/mol:

-328.48

Dipole, Da:

3.38

IP(EA), eV:

 -8.71(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-acetamido-6-[3-[(2-acetamido-3-methylbutanoyl)amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutan-2-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCN1C(C(C(C(C1=O)O)O)O)CNC(=S)NC2=CC(=C(C=C2)C)NC(=S)NCC3C(C(C(C(=O)N3CCC)O)O)O

DOS

IR

Vibrations