Geometry & MOs

Info

ID:

162524

PubChem CID:

57394943

Reduced:

BrSN3O4H14C19 (1)

Stoich.:

ABC3D4E14F19 (1)

Weight, g/mol:

952.553952

ΔHf, kcal/mol:

-62.8

Dipole, Da:

6.58

IP(EA), eV:

 -8.58(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-[3-[(6-chloroquinolin-4-yl)amino]propyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C1C(=C(C3=NC=NC=C23)O)SC4=CC=C(C=C4)Br)N

DOS

IR

Vibrations