Geometry & MOs

Info

ID:	338069
PubChem CID:	127258700
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	2.65
IP(EA), eV:	-8.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-[(4-thiocyanatophenyl)hydrazinylidene]ethyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=N/NC1=CC=C(C=C1)SC2=CC=CC=C2

DOS

IR

Vibrations