Geometry & MOs

Info

ID:	218017
PubChem CID:	85088748
Reduced:	NF3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	-247.25
Dipole, Da:	6.33
IP(EA), eV:	-8.19(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino-[4-oxo-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-ylidene]methyl]-3-ethoxy-3-hydroxyprop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2CCCCC2)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations