Geometry & MOs

Info

ID:	333253
PubChem CID:	127251802
Reduced:	SO2N6C18H30 (1)
Stoich.:	AB2C6D18E30 (1)
Weight, g/mol:	422.21001
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	5.17
IP(EA), eV:	-8.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(methylamino)-2-(1-piperidin-1-ylsulfonylpyrrolidin-3-yl)-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)N4CCCCC4

DOS

IR

Vibrations