Geometry & MOs

Info

ID:	306179
PubChem CID:	125002204
Reduced:	SO4N5C14H17 (1)
Stoich.:	AB4C5D14E17 (1)
Weight, g/mol:	351.100125
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	8.79
IP(EA), eV:	-10.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyrimidin-5-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C(=O)N2CCOC[C@@H]2C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations