Geometry & MOs

Info

ID:	166451
PubChem CID:	74689639
Reduced:	SN3O4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	230.092952
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	4.8
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-cyano-5-(phenylhydrazinylidene)pentanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)C4C5=CC=CC=C5CCN4)O

DOS

IR

Vibrations