Geometry & MOs

Info

ID:	223462
PubChem CID:	85335076
Reduced:	OSCl2N2H10C18 (1)
Stoich.:	ABC2D2E10F18 (1)
Weight, g/mol:	377.142265
ΔH_f, kcal/mol:	66.91
Dipole, Da:	2.55
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,3-benzothiazol-6-yl)-4-N-(5-methylpyrazolidin-3-yl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC2=CC(C(=O)N=C2C=C1)C3=CSC(=N3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations