Geometry & MOs

Info

ID:	150851
PubChem CID:	53790548
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	778.424026
ΔH_f, kcal/mol:	45.87
Dipole, Da:	4.7
IP(EA), eV:	-9.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N-[(2S)-1-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecylamino]-4,4,4-triphenyl-1-sulfanylidenebutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1N=NC(C#N)C(=O)N

DOS

IR

Vibrations