Geometry & MOs

Info

ID:	136797
PubChem CID:	52102066
Reduced:	SN4O4C26H32 (1)
Stoich.:	AB4C4D26E32 (1)
Weight, g/mol:	423.081281
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	5.1
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-[9-[(3R)-1,1-dioxothiolan-3-yl]-6-oxopurin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N=C(C=C2N1[C@@H]3CCS(=O)(=O)C3)C4=CC(=CC=C4)OC)C(=O)NC5CCCCCC5

DOS

IR

Vibrations