Geometry & MOs

Info

ID:	153446
PubChem CID:	56312645
Reduced:	N2O2F3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	415.201968
ΔH_f, kcal/mol:	-207.98
Dipole, Da:	2.03
IP(EA), eV:	-9.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(C)(C)C1=CC=CC=C1F)NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations