Geometry & MOs

Info

ID:	317675
PubChem CID:	126644920
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	402.080491
ΔH_f, kcal/mol:	-92.5
Dipole, Da:	3.41
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CO[C@H]2CCC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CC=CC(=C4)CCCO)N)C

DOS

IR

Vibrations