Geometry & MOs

Info

ID:	333522
PubChem CID:	127252074
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	4.33
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C(C=C2)C3CCN(C3)S(=O)(=O)N(C)C)N(C1=O)CC4=CC=CC=C4

DOS

IR

Vibrations