Geometry & MOs

Info

ID:	429447
PubChem CID:	135169496
Reduced:	SO3N6C24H28 (1)
Stoich.:	AB3C6D24E28 (1)
Weight, g/mol:	439.9867
ΔH_f, kcal/mol:	-13.53
Dipole, Da:	4.21
IP(EA), eV:	-8.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-yl] hypoiodite

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC2=NC=CC(=C2)COC3=CC(=C4C(=C3)SC(=N4)N[C@H]5CCCC[C@@H]5O)OC

DOS

IR

Vibrations