Geometry & MOs

Info

ID:

434347

PubChem CID:

135174725

Reduced:

F2S2O7N8C50H54 (1)

Stoich.:

A2B2C7D8E50F54 (1)

Weight, g/mol:

650.451954

ΔHf, kcal/mol:

-269.82

Dipole, Da:

15.0

IP(EA), eV:

 -8.82(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-2-[4-[1-[4-[2-(methylamino)-2-oxoethyl]-1-[5-(4-methylphenoxy)pentyl]piperazin-2-yl]-4-(4-methylphenoxy)butyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)NC(=O)CCCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)C(C)(C)C)F

DOS

IR

Vibrations