Geometry & MOs

Info

ID:	364558
PubChem CID:	127315810
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	46.19
Dipole, Da:	4.61
IP(EA), eV:	-9.63(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

COCC1=NC2=NC=NN2C(=C1)N(CC3CCCCC3)C4CC4

DOS

IR

Vibrations