Geometry & MOs

Info

ID:	429537
PubChem CID:	135169586
Reduced:	N3H8C10F13 (1)
Stoich.:	A3B8C10D13 (1)
Weight, g/mol:	449.128838
ΔH_f, kcal/mol:	-644.69
Dipole, Da:	2.25
IP(EA), eV:	-10.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[[6-[(2-aminopyrimidin-4-yl)methoxy]-7-chloro-4-methoxy-1,3-benzothiazol-2-yl]amino]-1-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCN1/C(=C(/C(F)(F)F)\F)/N(C(F)(F)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations