Geometry & MOs

Info

ID:	161102
PubChem CID:	57390771
Reduced:	ClF3N3O3H15C20 (1)
Stoich.:	AB3C3D3E15F20 (1)
Weight, g/mol:	365.105879
ΔH_f, kcal/mol:	-203.28
Dipole, Da:	6.89
IP(EA), eV:	-9.05(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(3H-benzimidazol-5-yl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NC=C(C(=C2)NC3=C(C=CC=C3Cl)C(=O)N)C(F)(F)F

DOS

IR

Vibrations