Geometry & MOs

Info

ID:

79891

PubChem CID:

49831068

Reduced:

SN3O6C14H19 (1)

Stoich.:

AB3C6D14E19 (1)

Weight, g/mol:

830.483278

ΔHf, kcal/mol:

-189.0

Dipole, Da:

7.93

IP(EA), eV:

 -8.76(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

magnesium;methyl (1S,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-22-[3-[(7S)-3,7-dimethyldodecoxy]-3-oxopropyl]-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,8(26),9,13,15,17,19-octaene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN=NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

DOS

IR

Vibrations