Geometry & MOs

Info

ID:	332341
PubChem CID:	127250627
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	7.72
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations