Geometry & MOs

Info

ID:

121253

PubChem CID:

50760272

Reduced:

SN3O4C26H35 (1)

Stoich.:

AB3C4D26E35 (1)

Weight, g/mol:

548.209341

ΔHf, kcal/mol:

-128.16

Dipole, Da:

7.27

IP(EA), eV:

 -9.27(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCCC(C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations