Geometry & MOs

Info

ID:	41004
PubChem CID:	8145107
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	383.100029
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	4.2
IP(EA), eV:	-8.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl-methyl-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

DOS

IR

Vibrations