Geometry & MOs

Info

ID:	84667
PubChem CID:	49869227
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	393.16079
ΔH_f, kcal/mol:	-35.51
Dipole, Da:	7.71
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methoxyphenyl)-N-(4-phenylcyclohexyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)S(=O)(=O)N[C@H]2CCC[C@H](C2)N3C=NN=C3)C4=C(N=CC=C4)OC

DOS

IR

Vibrations