Geometry & MOs

Info

ID:	333574
PubChem CID:	127252126
Reduced:	SO2F3N6C16H19 (1)
Stoich.:	AB2C3D6E16F19 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-163.59
Dipole, Da:	5.17
IP(EA), eV:	-9.33(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC(C1)C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations