Geometry & MOs

Info

ID:

448109

PubChem CID:

135288543

Reduced:

N6O9C45H76 (1)

Stoich.:

A6B9C45D76 (1)

Weight, g/mol:

915.550348

ΔHf, kcal/mol:

-459.91

Dipole, Da:

8.18

IP(EA), eV:

 -8.69(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4R)-4-[[(2S)-1-[[(3R,4S,5S)-3-aminooxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-3,5-dimethylhexoxy]ethyl-methylcarbamic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCC[C@H]1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)NC

DOS

IR

Vibrations