Geometry & MOs

Info

ID:	162441
PubChem CID:	57394670
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	574.140783
ΔH_f, kcal/mol:	-15.32
Dipole, Da:	6.81
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)-(3-methyl-4-oxido-6-phenyl-[1,2]oxazolo[4,5-b]pyridin-4-ium-7-yl)methyl]-3-methyl-4-oxido-6-phenyl-[1,2]oxazolo[4,5-b]pyridin-4-ium

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNCC(=O)NC3=NC=CS3

DOS

IR

Vibrations