Geometry & MOs

Info

ID:	176139
PubChem CID:	76000435
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-89.49
Dipole, Da:	5.66
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-propan-2-yl-1,4a,5,7,8,8a-hexahydropyrano[4,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CC1CC2C(C(O1)CCC3=CC=CC=C3)C(=O)NC(=S)N2

DOS

IR

Vibrations