Geometry & MOs

Info

ID:	224213
PubChem CID:	85340146
Reduced:	N3O5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	283.044919
ΔH_f, kcal/mol:	-183.5
Dipole, Da:	4.47
IP(EA), eV:	-9.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)C(=C)O)N

DOS

IR

Vibrations