Geometry & MOs

Info

ID:

312470

PubChem CID:

126605527

Reduced:

F3O6N8C36H43 (1)

Stoich.:

A3B6C8D36E43 (1)

Weight, g/mol:

475.135735

ΔHf, kcal/mol:

-354.38

Dipole, Da:

7.26

IP(EA), eV:

 -8.48(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-chloro-2-(methylamino)benzenecarboximidoyl]-7-[[3-(methylamino)cyclopentyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CC1CC[C@H](N1C(=O)CNC(=O)OC)C2=NC=C(N2)C3=CC=C(C=C3)C4=C(C=C(C=C4)NC(=O)N5CCN(CC5)C6CCN(CC6)C=O)OC(F)(F)F

DOS

IR

Vibrations