Geometry & MOs

Info

ID:	182671
PubChem CID:	76922170
Reduced:	SN3O3C13H25 (1)
Stoich.:	AB3C3D13E25 (1)
Weight, g/mol:	228.986133
ΔH_f, kcal/mol:	-161.63
Dipole, Da:	4.77
IP(EA), eV:	-8.94(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3-(2-chloro-6-fluorophenyl)-2-methylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SCCCCC(C)(C(=O)OC)N

DOS

IR

Vibrations