Geometry & MOs

Info

ID:	331786
PubChem CID:	127250070
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	447.141676
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	4.61
IP(EA), eV:	-9.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-fluorophenyl)methyl]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=CC=CC(=N3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations