Geometry & MOs

Info

ID:	416320
PubChem CID:	135089333
Reduced:	FSO3N4C13H21 (1)
Stoich.:	ABC3D4E13F21 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	4.36
IP(EA), eV:	-9.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)F

DOS

IR

Vibrations