Geometry & MOs

Info

ID:	227673
PubChem CID:	87562204
Reduced:	NOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	678.968439
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	6.39
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipotassium;[6-amino-2-[[2-(4-chlorophenyl)-2H-1,3-thiazol-3-id-4-yl]methylsulfanyl]-3-cyano-4-[4-(2-phosphonooxyethoxy)phenyl]-2H-pyridin-5-ylidene]methylideneazanide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N=C=O)N

DOS

IR

Vibrations