Geometry & MOs

Info

ID:	229293
PubChem CID:	87567345
Reduced:	ClFSO3N4C22H26 (1)
Stoich.:	ABCD3E4F22G26 (1)
Weight, g/mol:	213.962206
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	6.66
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3-(1-chloroprop-2-enylsulfonyl)prop-1-ene

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NNN=C4CCC(=O)O)/C3)S.Cl

DOS

IR

Vibrations