Geometry & MOs

Info

ID:	329750
PubChem CID:	127246617
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	4.83
IP(EA), eV:	-9.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations