Geometry & MOs

Info

ID:	331787
PubChem CID:	127250071
Reduced:	FSO2N3H22C25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	447.141676
ΔH_f, kcal/mol:	-35.58
Dipole, Da:	4.78
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=CC=CC=C5F

DOS

IR

Vibrations