Geometry & MOs

Info

ID:

67720

PubChem CID:

46507031

Reduced:

F2O3S3N4H18C22 (1)

Stoich.:

A2B3C3D4E18F22 (1)

Weight, g/mol:

512.101054

ΔHf, kcal/mol:

-114.71

Dipole, Da:

5.68

IP(EA), eV:

 -8.73(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]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)F)C)SC2=S

DOS

IR

Vibrations