Geometry & MOs

Info

ID:	332616
PubChem CID:	127250902
Reduced:	SO2N5C21H29 (1)
Stoich.:	AB2C5D21E29 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	5.39
IP(EA), eV:	-8.71(0.01)
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-methylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations