Geometry & MOs

Info

ID:	411454
PubChem CID:	135084285
Reduced:	O2S2C5H8 (1)
Stoich.:	A2B2C5D8 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	1.07
IP(EA), eV:	-8.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(1-hydroxypyridin-4-ylidene)hydrazinylidene]piperidin-2-one

Drug info:

PubChemData

Smile

CC=C1[S@](=O)CC[S@]1=O

DOS

IR

Vibrations