Geometry & MOs

Info

ID:

67710

PubChem CID:

46507014

Reduced:

F2O3S3N4H18C22 (1)

Stoich.:

A2B3C3D4E18F22 (1)

Weight, g/mol:

532.046432

ΔHf, kcal/mol:

-110.25

Dipole, Da:

7.15

IP(EA), eV:

 -8.55(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-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=C(C=C(C=C4)F)F)C)SC2=S

DOS

IR

Vibrations