Geometry & MOs

Info

ID:

422193

PubChem CID:

135117371

Reduced:

O2N6C17H20 (1)

Stoich.:

A2B6C17D20 (1)

Weight, g/mol:

765.318969

ΔHf, kcal/mol:

29.6

Dipole, Da:

6.35

IP(EA), eV:

 -8.87(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,8S,11R,14S)-1-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-8-[(4-methoxyphenyl)methyl]-11-methyl-5-(2-methylpropyl)-3,6,9,12-tetraoxo-14-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)CN3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations