Geometry & MOs

Info

ID:	193899
PubChem CID:	78451963
Reduced:	BrFN3O3H15C19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-100.35
Dipole, Da:	3.75
IP(EA), eV:	-9.62(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)C3=CC(=CC=C3)F)C(=O)NC4=C(C2=O)C=C(C=C4)Br

DOS

IR

Vibrations