Geometry & MOs

Info

ID:	374467
PubChem CID:	131329804
Reduced:	SF2N3H5C10 (1)
Stoich.:	AB2C3D5E10 (1)
Weight, g/mol:	235.99491
ΔH_f, kcal/mol:	-4.65
Dipole, Da:	4.17
IP(EA), eV:	-8.98(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-amino-4-(2-bromophenyl)but-3-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C2=NC(=C(S2)C#N)N)F

DOS

IR

Vibrations