Geometry & MOs

Info

ID:	332610
PubChem CID:	127250896
Reduced:	SO2N5C23H33 (1)
Stoich.:	AB2C5D23E33 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	6.92
IP(EA), eV:	-8.73(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC(C1)C2=NC(=C3CCCN(C3=N2)CC4=CC=CC=C4)C

DOS

IR

Vibrations