Geometry & MOs

Info

ID:	157778
PubChem CID:	56437143
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	478.18279
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	2.88
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl (Z)-4,4,4-trifluoro-3-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCCCNC(=O)C1=CC(=CC=C1)O)SCC2=CC=CC=C2

DOS

IR

Vibrations