Geometry & MOs

Info

ID:

82743

PubChem CID:

49856437

Reduced:

ClPO4N5C31H31 (1)

Stoich.:

ABC4D5E31F31 (1)

Weight, g/mol:

616.17355

ΔHf, kcal/mol:

-36.29

Dipole, Da:

5.3

IP(EA), eV:

 -8.49(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6,7-trimethoxy-2-[2-[2-[(5,6,7-trimethoxyquinolin-2-yl)methylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]quinoline

Drug info:

PubChemData

Smile

CC1=[N+](C(=CC=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CN6CCP(=O)(CC6)C)Cl)[O-]

DOS

IR

Vibrations