Geometry & MOs

Info

ID:

143379

PubChem CID:

53199496

Reduced:

FS2O3N5H14C20 (1)

Stoich.:

AB2C3D5E14F20 (1)

Weight, g/mol:

489.013238

ΔHf, kcal/mol:

-35.03

Dipole, Da:

4.85

IP(EA), eV:

 -9.17(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)CN2C(=O)N3C4=C(C(=O)N(C3=N2)CC5=CC=CS5)SC=C4

DOS

IR

Vibrations