Geometry & MOs

Info

ID:	165061
PubChem CID:	74491506
Reduced:	SF2N3O3H15C21 (1)
Stoich.:	AB2C3D3E15F21 (1)
Weight, g/mol:	444.08307
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	2.95
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-5-bromo-N-butylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)F)OCC#N

DOS

IR

Vibrations