Geometry & MOs

Info

ID:	429490
PubChem CID:	135169539
Reduced:	SO3N8C22H26 (1)
Stoich.:	AB3C8D22E26 (1)
Weight, g/mol:	468.157974
ΔH_f, kcal/mol:	14.07
Dipole, Da:	4.73
IP(EA), eV:	-8.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[[4-methoxy-6-[[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(N=N1)NC2=NC=CC(=N2)COC3=CC(=C4C(=C3)SC(=N4)N[C@H]5CCCC[C@@H]5O)OC

DOS

IR

Vibrations