Geometry & MOs

Info

ID:	449735
PubChem CID:	135301058
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	194.037706
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	2.89
IP(EA), eV:	-8.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4Z)-2-ethenyl-1,1-difluorohexa-2,4-dienyl] thiohypofluorite

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

DOS

IR

Vibrations