Geometry & MOs

Info

ID:	174606
PubChem CID:	75792192
Reduced:	ClN2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	319.171834
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	3.88
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2C(CCC3C2OC=C(C3=O)Cl)O

DOS

IR

Vibrations