Geometry & MOs

Info

ID:	176135
PubChem CID:	76000431
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-51.59
Dipole, Da:	5.4
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2C3C(CC(O2)CCC4=CC=CC=C4)NC(=S)NC3=O

DOS

IR

Vibrations