Geometry & MOs

Info

ID:	330218
PubChem CID:	127247205
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	335.105211
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	7.03
IP(EA), eV:	-9.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpyrimidin-5-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations