Geometry & MOs

Info

ID:

45158

PubChem CID:

10508552

Reduced:

ClS4O6N8C22H23 (1)

Stoich.:

AB4C6D8E22F23 (1)

Weight, g/mol:

659.323833

ΔHf, kcal/mol:

-86.54

Dipole, Da:

9.62

IP(EA), eV:

 -8.84(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[4-(4,5-diphenyl-1H-imidazol-2-yl)benzoyl]hydrazinyl]-2-octanoyloxy-4-oxobutyl]-trimethylazanium;chloride

Drug info:

PubChemData

Smile

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)[O-])SC4=C(C=NC=C4)CSCCNC(=O)C[NH3+]

DOS

IR

Vibrations