Geometry & MOs

Info

ID:	333329
PubChem CID:	127251881
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	4.1
IP(EA), eV:	-9.15(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-(2-methoxyphenyl)sulfonyl-4-(methylamino)-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)C4=CC=CC=C4OC)NC

DOS

IR

Vibrations