Geometry & MOs

Info

ID:	333526
PubChem CID:	127252078
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-124.56
Dipole, Da:	6.05
IP(EA), eV:	-9.22(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations