Geometry & MOs

Info

ID:	332289
PubChem CID:	127250575
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	414.14741
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	3.55
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-(6-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations