Geometry & MOs

Info

ID:	329812
PubChem CID:	127246679
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	7.12
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=CC=C(C=C3)S(=O)(=O)C)C

DOS

IR

Vibrations