Geometry & MOs

Info

ID:	355646
PubChem CID:	127289404
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	397.186238
ΔH_f, kcal/mol:	-94.02
Dipole, Da:	8.42
IP(EA), eV:	-9.13(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations