Geometry & MOs

Info

ID:	194740
PubChem CID:	78583826
Reduced:	OSCl3N3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	410.044465
ΔH_f, kcal/mol:	33.74
Dipole, Da:	6.65
IP(EA), eV:	-8.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[[4-(difluoromethylsulfanyl)phenyl]carbamothioylhydrazinylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC(=NNC(=S)NC1=CC(=CC=C1)OC)C2=C(C(=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations