Geometry & MOs

Info

ID:	425835
PubChem CID:	135128231
Reduced:	OS2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	403.131425
ΔH_f, kcal/mol:	38.96
Dipole, Da:	5.68
IP(EA), eV:	-8.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxypyridin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)OC4CCC(CC4)N(C)C)SC=C3

DOS

IR

Vibrations