Geometry & MOs

Info

ID:	333328
PubChem CID:	127251880
Reduced:	SO3N5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	6.61
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)S(=O)(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations