Geometry & MOs

Info

ID:	333254
PubChem CID:	127251803
Reduced:	SO3N6C19H30 (1)
Stoich.:	AB3C6D19E30 (1)
Weight, g/mol:	422.21001
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	3.95
IP(EA), eV:	-9.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)S(=O)(=O)N4CCCCC4)NC

DOS

IR

Vibrations