Geometry & MOs

Info

ID:	352640
PubChem CID:	127283729
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	8.12
Dipole, Da:	3.02
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)NC3=CC=C(C=C3)C4=NNC(=N4)C5CC5

DOS

IR

Vibrations