Geometry & MOs

Info

ID:	242657
PubChem CID:	97857767
Reduced:	FN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	6.94
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CC=CC=C1F)NC(=O)CN2C=NC3=C2CCCC3

DOS

IR

Vibrations