Geometry & MOs

Info

ID:	160498
PubChem CID:	57309846
Reduced:	S2N3O10C21H21 (1)
Stoich.:	A2B3C10D21E21 (1)
Weight, g/mol:	200.963897
ΔH_f, kcal/mol:	-298.55
Dipole, Da:	4.91
IP(EA), eV:	-9.63(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dichloro-methyl-(2-methylprop-2-enoyloxy)phosphanium

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

DOS

IR

Vibrations