Geometry & MOs

Info

ID:	395073
PubChem CID:	135024584
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	306.042276
ΔH_f, kcal/mol:	-247.58
Dipole, Da:	4.81
IP(EA), eV:	-10.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-nitro-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H](CCCCC[C@H]([C@H](/C=C\C(=O)O)O)O)O

DOS

IR

Vibrations