Geometry & MOs

Info

ID:	127282
PubChem CID:	50996954
Reduced:	ClSF3N3O5H17C18 (1)
Stoich.:	ABC3D3E5F17G18 (1)
Weight, g/mol:	481.105388
ΔH_f, kcal/mol:	-319.3
Dipole, Da:	7.59
IP(EA), eV:	-9.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclobutylamino)-N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CNCC1S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3OC(F)(F)F)Cl

DOS

IR

Vibrations