Geometry & MOs

Info

ID:	49712
PubChem CID:	11533624
Reduced:	N4O7C26H34 (1)
Stoich.:	A4B7C26D34 (1)
Weight, g/mol:	514.171787
ΔH_f, kcal/mol:	-282.71
Dipole, Da:	2.2
IP(EA), eV:	-8.53(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-[2-[(1-propylsulfanylpiperidin-4-yl)amino]pyrimidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N[C@H](CC1CCNC1=O)C(=O)COC(=O)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC

DOS

IR

Vibrations