Geometry & MOs

Info

ID:	196644
PubChem CID:	78857909
Reduced:	SO4N6C17H22 (1)
Stoich.:	AB4C6D17E22 (1)
Weight, g/mol:	439.157915
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	10.62
IP(EA), eV:	-9.49(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=NN=C4N3CCC4

DOS

IR

Vibrations