Geometry & MOs

Info

ID:	84898
PubChem CID:	49870599
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	365.12949
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	4.47
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)C2=NC(=NC=C2)NC3CCCCC3)S(=O)(=O)C4CC4

DOS

IR

Vibrations