Geometry & MOs

Info

ID:

421091

PubChem CID:

135115371

Reduced:

SN4O4C13H20 (1)

Stoich.:

AB4C4D13E20 (1)

Weight, g/mol:

673.358782

ΔHf, kcal/mol:

-136.84

Dipole, Da:

8.93

IP(EA), eV:

 -9.58(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(4-imidazol-1-ylbenzoyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCCS(=O)(=O)N)O)CC2=NC=CN=C2

DOS

IR

Vibrations