Geometry & MOs

Info

ID:

143380

PubChem CID:

53199497

Reduced:

ClFS2O3N5H13C20 (1)

Stoich.:

ABC2D3E5F13G20 (1)

Weight, g/mol:

457.122003

ΔHf, kcal/mol:

-41.08

Dipole, Da:

5.04

IP(EA), eV:

 -9.12(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7,12-dioxo-8-(oxolan-2-ylmethyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]-N-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CN2C(=O)C3=C(C=CS3)N4C2=NN(C4=O)CC(=O)NC5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations