Geometry & MOs

Info

ID:	422146
PubChem CID:	135117292
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	343.144453
ΔH_f, kcal/mol:	2.91
Dipole, Da:	5.42
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)S(=O)(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations