Geometry & MOs

Info

ID:	223742
PubChem CID:	85335511
Reduced:	N4O10C23H34 (1)
Stoich.:	A4B10C23D34 (1)
Weight, g/mol:	526.104913
ΔH_f, kcal/mol:	-454.69
Dipole, Da:	3.73
IP(EA), eV:	-8.22(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide;dihydroxy(oxo)phosphanium

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC(O2)(C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)O)C(=C1O)C)C

DOS

IR

Vibrations