Geometry & MOs

Info

ID:	79782
PubChem CID:	49830343
Reduced:	F3O3N6H19C27 (1)
Stoich.:	A3B3C6D19E27 (1)
Weight, g/mol:	361.099731
ΔH_f, kcal/mol:	-119.97
Dipole, Da:	3.46
IP(EA), eV:	-8.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=C4N=CC(=C(N4N=C3)N)C5=CC=C(C=C5)NC(=O)NC6=CC=CC(=C6)C(F)(F)F

DOS

IR

Vibrations