Geometry & MOs

Info

ID:	333348
PubChem CID:	127251900
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	422.21001
ΔH_f, kcal/mol:	-67.49
Dipole, Da:	9.86
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C(=N2)NC

DOS

IR

Vibrations