Geometry & MOs

Info

ID:

67719

PubChem CID:

46507030

Reduced:

ClFO3S3N4H18C22 (1)

Stoich.:

ABC3D3E4F18G22 (1)

Weight, g/mol:

520.05091

ΔHf, kcal/mol:

-75.64

Dipole, Da:

3.42

IP(EA), eV:

 -8.65(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-[[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=CC(=C(C=C4)F)Cl)C)SC2=S

DOS

IR

Vibrations