Geometry & MOs

Info

ID:	215109
PubChem CID:	85084165
Reduced:	BSN5O6C37H50 (1)
Stoich.:	ABC5D6E37F50 (1)
Weight, g/mol:	704.193434
ΔH_f, kcal/mol:	-286.65
Dipole, Da:	3.41
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4,5-triacetyloxy-1,6-bis[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-1,6-dioxohexan-3-yl] acetate

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CCCSC(=N)N)NC(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations