Geometry & MOs

Info

ID:	429448
PubChem CID:	135169497
Reduced:	ISF2N2O2C14H15 (1)
Stoich.:	ABC2D2E2F14G15 (1)
Weight, g/mol:	492.19436
ΔH_f, kcal/mol:	-137.64
Dipole, Da:	3.84
IP(EA), eV:	-8.33(-3.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[[4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)OI)SC(=N2)NC3CCCC(C3)(F)F

DOS

IR

Vibrations