Geometry & MOs

Info

ID:	133114
PubChem CID:	51478760
Reduced:	Cl2N2O3H20C21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	351.067546
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	3.95
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(3,4-difluorophenyl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)CCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations