Geometry & MOs

Info

ID:	123304
PubChem CID:	50841678
Reduced:	FSO3N4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	483.230411
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	2.53
IP(EA), eV:	-8.71(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)purin-8-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)SN=C3C4=CC=C(C=C4)F

DOS

IR

Vibrations