Geometry & MOs

Info

ID:	332977
PubChem CID:	127251401
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	422.211804
ΔH_f, kcal/mol:	-32.52
Dipole, Da:	7.79
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-2-methyl-1-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)S(=O)(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN=CN=C4)C

DOS

IR

Vibrations