Geometry & MOs

Info

ID:

65391

PubChem CID:

29214845

Reduced:

ClSO2N4C22H27 (1)

Stoich.:

ABC2D4E22F27 (1)

Weight, g/mol:

506.163077

ΔHf, kcal/mol:

-37.46

Dipole, Da:

4.81

IP(EA), eV:

 -8.46(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations