Geometry & MOs

Info

ID:	175620
PubChem CID:	75928524
Reduced:	SF2N3O3H17C22 (1)
Stoich.:	AB2C3D3E17F22 (1)
Weight, g/mol:	440.126674
ΔH_f, kcal/mol:	-142.95
Dipole, Da:	9.38
IP(EA), eV:	-8.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC(=CC(=C2)F)F)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations