Geometry & MOs

Info

ID:	223373
PubChem CID:	85334931
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	283.044919
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	5.13
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-2,3-bis(sulfanyl)propyl]-4aH-pyrido[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CC2=C(N1C=C(C#N)C(=O)C(C)(C)C)C=CC(=C2)C

DOS

IR

Vibrations