Geometry & MOs

Info

ID:	361332
PubChem CID:	127302527
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-193.88
Dipole, Da:	7.17
IP(EA), eV:	-8.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)NC2=CC=CC(=C2)CN3C(=O)CNC3=O

DOS

IR

Vibrations