Geometry & MOs

Info

ID:

66537

PubChem CID:

46504757

Reduced:

BrFSN3O4C23H25 (1)

Stoich.:

ABCD3E4F23G25 (1)

Weight, g/mol:

486.11879

ΔHf, kcal/mol:

-156.03

Dipole, Da:

7.98

IP(EA), eV:

-9.02(-0.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethylhexyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F)Br

DOS

IR

Vibrations