Geometry & MOs

Info

ID:	164349
PubChem CID:	74384796
Reduced:	SF3O6C22H31 (1)
Stoich.:	AB3C6D22E31 (1)
Weight, g/mol:	451.110296
ΔH_f, kcal/mol:	-414.66
Dipole, Da:	4.56
IP(EA), eV:	-9.29(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(2-oxochromen-6-yl)amino]-1,3-thiazol-2-yl]-N-phenyliminobenzenecarboximidamide

Drug info:

PubChemData

Smile

C1CC(OC2(C1)CCCC(O2)COS(=O)(=O)C(F)(F)F)CCCCOCC3=CC=CC=C3

DOS

IR

Vibrations