Geometry & MOs

Info

ID:	192910
PubChem CID:	78323782
Reduced:	F3O3N5C21H22 (1)
Stoich.:	A3B3C5D21E22 (1)
Weight, g/mol:	474.212787
ΔH_f, kcal/mol:	-225.87
Dipole, Da:	3.82
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(2,6-dianilinopurin-9-yl)acetyl]amino]-N-hydroxypentanamide

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3CCCC(C3)C(=O)O

DOS

IR

Vibrations