Geometry & MOs

Info

ID:	332147
PubChem CID:	127250433
Reduced:	ClSO3N4C19H19 (1)
Stoich.:	ABC3D4E19F19 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	7.17
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]-2-(5-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations