Geometry & MOs

Info

ID:	332342
PubChem CID:	127250628
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	386.11611
ΔH_f, kcal/mol:	-76.04
Dipole, Da:	7.34
IP(EA), eV:	-9.29(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylimidazol-4-yl)sulfonyl-2-(6-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4)C)OC

DOS

IR

Vibrations