Geometry & MOs

Info

ID:	312293
PubChem CID:	126604153
Reduced:	O2H32C33 (1)
Stoich.:	A2B32C33 (1)
Weight, g/mol:	313.080947
ΔH_f, kcal/mol:	-4.49
Dipole, Da:	1.94
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(diethoxyphosphorylmethyl)-1,3-bis(methylsulfanyl)-4,5-dihydroimidazol-1-ium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC(C2=CC3=C(C=C2)C4=CC=CC=C4C=C3)OC5=CC=C(C=C5)C(C)C

DOS

IR

Vibrations