Geometry & MOs

Info

ID:

414899

PubChem CID:

135087871

Reduced:

SN3O4C15H23 (1)

Stoich.:

AB3C4D15E23 (1)

Weight, g/mol:

712.325434

ΔHf, kcal/mol:

-142.83

Dipole, Da:

5.46

IP(EA), eV:

 -9.57(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations