Geometry & MOs

Info

ID:	333087
PubChem CID:	127251511
Reduced:	FSO2N4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	3.77
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=C(N=C(S3)NC)C)CC4=CC=CC=C4F

DOS

IR

Vibrations