Geometry & MOs

Info

ID:	333112
PubChem CID:	127251660
Reduced:	FO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	6.27
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenoxy)-1-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)COC3=CC=C(C=C3)F)NC4=CC=CC=N4

DOS

IR

Vibrations