Geometry & MOs

Info

ID:	176138
PubChem CID:	76000434
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	5.58
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CC2C(C(O1)CCC3=CC=CC=C3)C(=O)NC(=S)N2

DOS

IR

Vibrations