Geometry & MOs

Info

ID:	228171
PubChem CID:	87563591
Reduced:	NF3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	469.02264
ΔH_f, kcal/mol:	-219.73
Dipole, Da:	3.03
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-tert-butyl-N-[(4-carbamoylphenyl)carbamothioyl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=N/O)OC(F)(F)F

DOS

IR

Vibrations