Geometry & MOs

Info

ID:

142192

PubChem CID:

52998288

Reduced:

BrSN2O4C24H25 (1)

Stoich.:

ABC2D4E24F25 (1)

Weight, g/mol:

483.113188

ΔHf, kcal/mol:

-87.29

Dipole, Da:

9.24

IP(EA), eV:

 -8.09(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(5E)-5-(5-chloroindol-2-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC(=C(C=C4)OC)OC.Br

DOS

IR

Vibrations