Geometry & MOs

Info

ID:	41019
PubChem CID:	8145129
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	397.133437
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	3.16
IP(EA), eV:	-8.18(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

DOS

IR

Vibrations