Geometry & MOs

Info

ID:	127130
PubChem CID:	50991976
Reduced:	FO4N5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	608.149429
ΔH_f, kcal/mol:	-134.95
Dipole, Da:	7.9
IP(EA), eV:	-9.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=C(C=C3)F)OCC4CC4)C(=O)N[C@@H]5CCN(C5)C(=O)COC

DOS

IR

Vibrations