Geometry & MOs

Info

ID:

164045

PubChem CID:

74381633

Reduced:

S3O4N5H17C22 (1)

Stoich.:

A3B4C5D17E22 (1)

Weight, g/mol:

579.106868

ΔHf, kcal/mol:

-15.85

Dipole, Da:

5.73

IP(EA), eV:

 -9.33(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]-7-methyl-2,3-dihydroindol-1-yl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations