Geometry & MOs

Info

ID:	185665
PubChem CID:	77328187
Reduced:	NaO6C24H39 (1)
Stoich.:	AB6C24D39 (1)
Weight, g/mol:	655.201827
ΔH_f, kcal/mol:	-286.41
Dipole, Da:	11.0
IP(EA), eV:	-7.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(4-benzhydrylpiperazin-1-yl)-2-(1H-indole-2-carbonylamino)-3-oxopropyl]sulfanylpyridin-3-yl]phosphonic acid

Drug info:

PubChemData

Smile

CCCC(C)COC1CC(C(=C2C1C(C(C(=C2)O)C)CCCCCCC(=O)[O-])O)O.[Na+]

DOS

IR

Vibrations