Geometry & MOs

Info

ID:	161778
PubChem CID:	57392629
Reduced:	ClSN3O3H22C23 (1)
Stoich.:	ABC3D3E22F23 (1)
Weight, g/mol:	355.110296
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	6.62
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)N[C@H]3CCCN(C3)C4=CC=CC(=C4)C(=O)O

DOS

IR

Vibrations