Geometry & MOs

Info

ID:

435184

PubChem CID:

135183474

Reduced:

BrSO4N7C11H16 (1)

Stoich.:

ABC4D7E11F16 (1)

Weight, g/mol:

670.282302

ΔHf, kcal/mol:

-5.86

Dipole, Da:

3.82

IP(EA), eV:

 -9.55(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-chloro-5-[[2-methyl-3-[3-(1,2,3,6-tetrahydropyridin-4-yl)quinoxalin-6-yl]phenyl]methoxy]-2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN=C(C1=NON=C1NCCNS(=O)(=O)N)NCC2=CC(=CO2)Br

DOS

IR

Vibrations