Geometry & MOs

Info

ID:	176136
PubChem CID:	76000432
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	5.59
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations