Geometry & MOs

Info

ID:	352641
PubChem CID:	127283730
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-45.08
Dipole, Da:	5.89
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-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

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCOCC4)N5CC[C@@H](C5)O

DOS

IR

Vibrations