Geometry & MOs

Info

ID:	333525
PubChem CID:	127252077
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	4.78
IP(EA), eV:	-9.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C(C=C2)C3CCN(C3)C(=O)CC4CCCC4)N(C1=O)CC5=CC=CC=C5

DOS

IR

Vibrations