Geometry & MOs

Info

ID:	176137
PubChem CID:	76000433
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	5.72
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-phenylethyl)-7-propan-2-yl-2-sulfanylidene-1,4a,5,7,8,8a-hexahydropyrano[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C2C(CC(O1)CC(C)C)NC(=S)NC2=O

DOS

IR

Vibrations