Geometry & MOs

Info

ID:	425833
PubChem CID:	135128225
Reduced:	S2O3N5C16H19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	347.087453
ΔH_f, kcal/mol:	-53.03
Dipole, Da:	6.34
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO)SC=C3

DOS

IR

Vibrations