Geometry & MOs

Info

ID:	161608
PubChem CID:	57392129
Reduced:	SF2N2O2H10C13 (1)
Stoich.:	AB2C2D2E10F13 (1)
Weight, g/mol:	432.21165
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	4.09
IP(EA), eV:	-9.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[3-[(2-ethoxy-2-oxoethyl)iminomethyl]pentan-3-yldisulfanyl]-2-ethylbutylidene]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)N2C(SCC2=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations