Geometry & MOs

Info

ID:	46475
PubChem CID:	10524594
Reduced:	SN3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	393.201219
ΔH_f, kcal/mol:	69.51
Dipole, Da:	4.72
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3E)-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-(phenylcarbamoylhydrazinylidene)butanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N=C(C2=CC=CS2)N)CN

DOS

IR

Vibrations