Geometry & MOs

Info

ID:	50030
PubChem CID:	11538905
Reduced:	ClSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	415.091452
ΔH_f, kcal/mol:	49.0
Dipole, Da:	5.61
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(6-aminopyrimidin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=N)C2=CC=C(C=C2)C3=NOC(=C3)CNC(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations