Geometry & MOs

Info

ID:

45085

PubChem CID:

10507856

Reduced:

SN4O4F6C26H26 (1)

Stoich.:

AB4C4D6E26F26 (1)

Weight, g/mol:

604.214484

ΔHf, kcal/mol:

-347.92

Dipole, Da:

7.59

IP(EA), eV:

 -9.22(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl (2S)-2-[[4-[[[3-ethoxycarbonyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)/C=C/C4=CN=C(C=C4)OCC(C(F)F)(F)F

DOS

IR

Vibrations