Geometry & MOs

Info

ID:	429626
PubChem CID:	135169675
Reduced:	ClON4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	50.74
Dipole, Da:	9.01
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)N2C=C(C=N2)C=O)N

DOS

IR

Vibrations