Geometry & MOs

Info

ID:	162322
PubChem CID:	57394294
Reduced:	OCl2N6H24C25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	423.149574
ΔH_f, kcal/mol:	42.61
Dipole, Da:	6.88
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C2=NC=NC(=C2)N3CCC(C3)(C4=CC=CC=C4)O)C5=NC6=CC(=C(C=C6N5)Cl)Cl

DOS

IR

Vibrations