Geometry & MOs

Info

ID:	333349
PubChem CID:	127251901
Reduced:	SO3N6C19H30 (1)
Stoich.:	AB3C6D19E30 (1)
Weight, g/mol:	422.21001
ΔH_f, kcal/mol:	-107.11
Dipole, Da:	4.44
IP(EA), eV:	-9.15(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations