Geometry & MOs

Info

ID:	177813
PubChem CID:	76234595
Reduced:	NO5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	493.213675
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	4.71
IP(EA), eV:	-8.82(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-7-ethyl-2,6-dioxo-4,5-dihydropurin-8-yl)methyl 4-[(2,4-difluorobenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C=CC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations