Geometry & MOs

Info

ID:	332618
PubChem CID:	127250904
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	6.39
IP(EA), eV:	-8.7(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-2-(1-ethylsulfonylpyrrolidin-3-yl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)S(=O)(=O)C)CC4=CC=CC=C4

DOS

IR

Vibrations