Geometry & MOs

Info

ID:	193586
PubChem CID:	78408550
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	313.099731
ΔH_f, kcal/mol:	56.06
Dipole, Da:	2.84
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phthalazin-1-ylhydrazinylidene)-3-prop-2-enyl-1,3-thiazinan-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)CSC2=NNC3=NN=CC4=CC=CC=C43

DOS

IR

Vibrations