Geometry & MOs

Info

ID:	41042
PubChem CID:	8145162
Reduced:	OSN5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	351.127957
ΔH_f, kcal/mol:	51.28
Dipole, Da:	3.94
IP(EA), eV:	-8.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C=N3)C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations