Geometry & MOs

Info

ID:	28855
PubChem CID:	830064
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	332.101706
ΔH_f, kcal/mol:	-136.0
Dipole, Da:	6.84
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C([C@@H](C(=C(O1)N)C#N)C2=C(C=C(C=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations