Geometry & MOs

Info

ID:	141986
PubChem CID:	52962560
Reduced:	BrSN3O3H22C23 (1)
Stoich.:	ABC3D3E22F23 (1)
Weight, g/mol:	264.14605
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	4.05
IP(EA), eV:	-9.19(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-ethenyl-3-methyl-2,6-dioxo-9H-purin-8-ylidene)-diethylazanium

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)N=C3N=C4C=CC(=CC4S3)Br

DOS

IR

Vibrations