Geometry & MOs

Info

ID:	191677
PubChem CID:	78176297
Reduced:	O2N3C8H9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	428.070302
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	4.68
IP(EA), eV:	-10.29(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(2-amino-6-oxo-5H-purin-9-yl)phenyl]carbamoyl]benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

CC(C)C1=NC2C(=NC=NC2=O)O1

DOS

IR

Vibrations