Geometry & MOs

Info

ID:	431780
PubChem CID:	135171886
Reduced:	BrSF3N4C19H24 (1)
Stoich.:	ABC3D4E19F24 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	7.99
IP(EA), eV:	-9.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[3-amino-4-[bis(2-methylpropyl)amino]phenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)Br)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations