Geometry & MOs

Info

ID:	162399
PubChem CID:	57394548
Reduced:	ClON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	30.89
Dipole, Da:	3.93
IP(EA), eV:	-8.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1C[C@H]2CN(C[C@H]2NC1)C3=NC(=NC4=C3OC5=C4C=C(C=C5)Cl)N

DOS

IR

Vibrations