Geometry & MOs

Info

ID:	374504
PubChem CID:	131330581
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	254.94504
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	3.02
IP(EA), eV:	-8.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-chloro-2-phenylbut-2-enenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=C1)C(=CS2)N)CCl

DOS

IR

Vibrations