Geometry & MOs

Info

ID:	193526
PubChem CID:	78404029
Reduced:	O2S2N5C23H27 (1)
Stoich.:	A2B2C5D23E27 (1)
Weight, g/mol:	251.101839
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	8.99
IP(EA), eV:	-8.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N=C1SCC(=O)C(=C3NC4CCCCC4N3)C#N)SC5=C2CCCC5

DOS

IR

Vibrations