Geometry & MOs

Info

ID:	429322
PubChem CID:	135169291
Reduced:	IOSN3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	419.142739
ΔH_f, kcal/mol:	19.64
Dipole, Da:	2.24
IP(EA), eV:	-9.14(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[[6-[(2-aminopyrimidin-4-yl)methoxy]-7-fluoro-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=C(C=N2)C(=O)NC)SI

DOS

IR

Vibrations