Geometry & MOs

Info

ID:	332085
PubChem CID:	127250371
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	449.096476
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	5.98
IP(EA), eV:	-9.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations