Geometry & MOs

Info

ID:	427816
PubChem CID:	135163509
Reduced:	O3N5C38H43 (1)
Stoich.:	A3B5C38D43 (1)
Weight, g/mol:	296.075012
ΔH_f, kcal/mol:	-9.0
Dipole, Da:	5.1
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethyl-2-propan-2-yloxyethenamine

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC2=C(O1)C=CN=C2)CC3=C(C=CC(=C3)[C@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)[C@H](C)C(=O)OCC6=CC=CC=C6)C

DOS

IR

Vibrations