Geometry & MOs

Info

ID:

440771

PubChem CID:

135231368

Reduced:

SO3N4C23H26 (1)

Stoich.:

AB3C4D23E26 (1)

Weight, g/mol:

530.144486

ΔHf, kcal/mol:

-50.42

Dipole, Da:

6.42

IP(EA), eV:

 -9.27(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-[(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations