Geometry & MOs

Info

ID:

84153

PubChem CID:

49864613

Reduced:

N3O6C16H29 (1)

Stoich.:

A3B6C16D29 (1)

Weight, g/mol:

1091.625346

ΔHf, kcal/mol:

-314.11

Dipole, Da:

5.61

IP(EA), eV:

 -9.89(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[[3-[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxy-3-oxopropyl]amino]butylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)N

DOS

IR

Vibrations