Geometry & MOs

Info

ID:	195704
PubChem CID:	78724904
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	305.045486
ΔH_f, kcal/mol:	-63.0
Dipole, Da:	7.57
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=S)NC1=CC2=C(C=C1)OC(C(=O)N2)C

DOS

IR

Vibrations