Geometry & MOs

Info

ID:	332288
PubChem CID:	127250574
Reduced:	FO2N5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	3.32
IP(EA), eV:	-8.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-5-methylphenyl)sulfonyl-2-(6-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)C)CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations