Geometry & MOs

Info

ID:	162579
PubChem CID:	57395137
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	438.01889
ΔH_f, kcal/mol:	-14.4
Dipole, Da:	7.43
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-iodophenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=O)/C(=C/3\CCNC(=O)C4=C3C=C(N4)C5=CC=CC=C5)/N2

DOS

IR

Vibrations