Geometry & MOs

Info

ID:	27560
PubChem CID:	822172
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-64.87
Dipole, Da:	5.13
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropyl)-6-nitropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C(N=C2OC)N)N

DOS

IR

Vibrations