Geometry & MOs

Info

ID:

415309

PubChem CID:

135088303

Reduced:

SN3O4C16H21 (1)

Stoich.:

AB3C4D16E21 (1)

Weight, g/mol:

626.342798

ΔHf, kcal/mol:

-122.4

Dipole, Da:

5.09

IP(EA), eV:

 -8.76(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-14-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations