Geometry & MOs

Info

ID:	329709
PubChem CID:	127246576
Reduced:	O2S2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-14.65
Dipole, Da:	5.24
IP(EA), eV:	-9.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclohexylsulfonylpyrrolidin-3-yl)-4-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations