Geometry & MOs

Info

ID:	349276
PubChem CID:	127275063
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	398.157661
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	3.61
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C2=C(S1)CCC2)C#N)N3CCOC(C3)C4=CC=CC=C4F

DOS

IR

Vibrations