Geometry & MOs

Info

ID:

175151

PubChem CID:

75862560

Reduced:

SN3O4C24H34 (1)

Stoich.:

AB3C4D24E34 (1)

Weight, g/mol:

429.114513

ΔHf, kcal/mol:

-118.97

Dipole, Da:

6.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.959626

Charge, e:

 -1

Chem-info

IUPAC name:

(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]azanide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCC3)OCC

DOS

IR

Vibrations