Geometry & MOs

Info

ID:

88397

PubChem CID:

49903265

Reduced:

BrSF3N3O3H15C24 (1)

Stoich.:

ABC3D3E3F15G24 (1)

Weight, g/mol:

589.0307

ΔHf, kcal/mol:

-147.83

Dipole, Da:

9.67

IP(EA), eV:

 -8.7(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C/C(=N/NC4=CC=CC(=C4)C(F)(F)F)/C=CC3=O)/SC2=O)Br

DOS

IR

Vibrations