Geometry & MOs

Info

ID:	332960
PubChem CID:	127251384
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-72.94
Dipole, Da:	7.38
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-1-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN=CN=C4)C

DOS

IR

Vibrations