Geometry & MOs

Info

ID:	349280
PubChem CID:	127275067
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	398.157661
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	4.19
IP(EA), eV:	-9.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-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=C4)F

DOS

IR

Vibrations