Geometry & MOs

Info

ID:	221684
PubChem CID:	85285927
Reduced:	SSiN2F3O10C21H31 (1)
Stoich.:	ABC2D3E10F21G31 (1)
Weight, g/mol:	590.10262
ΔH_f, kcal/mol:	-557.25
Dipole, Da:	6.3
IP(EA), eV:	-9.56(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-(5-carbamoylpyridazin-1-ium-1-yl)-2-(phenylmethoxycarbonylamino)pentanoate;iodide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C(C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C)C(=O)O

DOS

IR

Vibrations