Geometry & MOs

Info

ID:	333338
PubChem CID:	127251890
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	421.214761
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	7.04
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-cyclohexylsulfonyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)S(=O)(=O)C4CCCCC4

DOS

IR

Vibrations