Geometry & MOs

Info

ID:	58901
PubChem CID:	24715198
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	331.171834
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	5.35
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methyl-2-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C

DOS

IR

Vibrations