Geometry & MOs

Info

ID:	184989
PubChem CID:	77238252
Reduced:	ClFSN3O8C23H29 (1)
Stoich.:	ABCD3E8F23G29 (1)
Weight, g/mol:	432.233683
ΔH_f, kcal/mol:	-388.31
Dipole, Da:	5.74
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenoxy)-8-(6-propyl-3-tricyclo[3.3.1.03,7]nonanyl)-1,2,3,4,5,7,8,9-octahydropurin-6-one

Drug info:

PubChemData

Smile

CCC1(C(OC2(O1)CCC(C(=C2)C(=O)O)S(=O)(=O)NC3=C(C=C(C=C3)F)Cl)CNC(=O)C)CNC(=O)C

DOS

IR

Vibrations