Geometry & MOs

Info

ID:	425832
PubChem CID:	135128223
Reduced:	OSN3C11H14 (2)
Stoich.:	ABC3D11E14 (2)
Weight, g/mol:	393.092932
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	11.78
IP(EA), eV:	-8.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC(=CS4)C(=O)N[C@@H]5CCNC5)O

DOS

IR

Vibrations