Geometry & MOs

Info

ID:	233103
PubChem CID:	87692414
Reduced:	SnCl2N2F4H28C36 (1)
Stoich.:	AB2C2D4E28F36 (1)
Weight, g/mol:	466.228159
ΔH_f, kcal/mol:	-17.2
Dipole, Da:	2.63
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylbutan-2-yl)-1-sulfanylurea;hydrochloride

Drug info:

PubChemData

Smile

C1C=CC=C1[Sn](C2=CC=CC2)(C3=C(C=CC(=C3F)NCC4=CC=CC=C4Cl)F)C5=C(C=CC(=C5F)NCC6=CC=CC=C6Cl)F

DOS

IR

Vibrations