Geometry & MOs

Info

ID:	127131
PubChem CID:	50992004
Reduced:	Cl2O2N6H26C33 (1)
Stoich.:	A2B2C6D26E33 (1)
Weight, g/mol:	558.217952
ΔH_f, kcal/mol:	57.31
Dipole, Da:	6.09
IP(EA), eV:	-8.31(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-[3-[3-(4-methoxyphenyl)-1-[6-(methylamino)pyrimidin-4-yl]indol-6-yl]phenyl]urea

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)N2C=C(C3=C2C=C(C=C3)C4=CC(=CC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)C6=CC=C(C=C6)OC

DOS

IR

Vibrations