Geometry & MOs

Info

ID:	333521
PubChem CID:	127252073
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	2.08
IP(EA), eV:	-9.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)-N,N-dimethylpyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C(C=C2)C3CCN(C3)C(=O)C4=CC=CC=N4)N(C1=O)CC5=CC=CC=C5

DOS

IR

Vibrations