Geometry & MOs

Info

ID:

441006

PubChem CID:

135232658

Reduced:

ISN3H6C8 (1)

Stoich.:

ABC3D6E8 (1)

Weight, g/mol:

1138.436285

ΔHf, kcal/mol:

89.53

Dipole, Da:

3.75

IP(EA), eV:

 -9.02(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-acetamido-3-[(4R)-3-acetamido-5-[3-acetamido-5-[(4R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-undec-4-ynoxybenzoyl)amino]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)N)C2=CN=C(S2)I

DOS

IR

Vibrations