Geometry & MOs

Info

ID:	429482
PubChem CID:	135169531
Reduced:	ON4H32C51 (1)
Stoich.:	AB4C32D51 (1)
Weight, g/mol:	317.094646
ΔH_f, kcal/mol:	233.76
Dipole, Da:	4.85
IP(EA), eV:	-8.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-aminopyrimidin-4-yl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CC(=N3)C4=CC(=CC=C4)N5C6=C(C=CC7=CC=CC=C76)C8=C5C9=C(C=C8)N=C(O9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations