Geometry & MOs

Info

ID:	219384
PubChem CID:	85148344
Reduced:	SN6O8C17H30 (1)
Stoich.:	AB6C8D17E30 (1)
Weight, g/mol:	477.205042
ΔH_f, kcal/mol:	-385.36
Dipole, Da:	6.86
IP(EA), eV:	-8.83(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[5-amino-2-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxopurin-3-ium-8-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)C(CS)N)O

DOS

IR

Vibrations