Geometry & MOs

Info

ID:	61826
PubChem CID:	26713547
Reduced:	BrS2N3O4C18H22 (1)
Stoich.:	AB2C3D4E18F22 (1)
Weight, g/mol:	418.142324
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	4.27
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]-5-methyl-4-propylthiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations