Geometry & MOs

Info

ID:

185211

PubChem CID:

77271271

Reduced:

SN4O4C26H26 (1)

Stoich.:

AB4C4D26E26 (1)

Weight, g/mol:

498.168539

ΔHf, kcal/mol:

-114.67

Dipole, Da:

7.4

IP(EA), eV:

 -8.62(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[3-(13-methylsulfanyl-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl)benzoyl]hydrazinyl]-3-oxopropyl] acetate

Drug info:

PubChemData

Smile

CC1C(C2=CC=CC3=C2N1C(=O)C=C3)NCCCC4CN(C(=O)O4)C5=CC6=C(C=C5)SCC(=O)N6

DOS

IR

Vibrations