Geometry & MOs

Info

ID:	174608
PubChem CID:	75792194
Reduced:	OSN3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	4.62
IP(EA), eV:	-8.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-ylmethylamino)-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C1NC3CCCC4=CC=CC=C34)SC5=C2CCCC5

DOS

IR

Vibrations