Geometry & MOs

Info

ID:	177858
PubChem CID:	76245300
Reduced:	BrNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	471.211784
ΔH_f, kcal/mol:	-106.92
Dipole, Da:	11.97
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-7-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)methyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)C(=O)C=CC2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations