Geometry & MOs

Info

ID:

325058

PubChem CID:

126679415

Reduced:

S4N7O16C45H45 (1)

Stoich.:

A4B7C16D45E45 (1)

Weight, g/mol:

769.410424

ΔHf, kcal/mol:

-449.69

Dipole, Da:

12.2

IP(EA), eV:

 -8.4(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-propylphenyl) 4-[2-[4-[2-[4-[2-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinyl]naphthalen-1-yl]hydrazinyl]naphthalen-1-yl]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

CCCCNC1=C(C=C2C=C(C(=C(C2=C1)O)NNC3=C4C=C(C=CC4=C(C=C3)NNC5=C6C=C(C=CC6=C(C=C5)NNC7=CC=C(C=C7)OCCOC(=O)C=C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations