Geometry & MOs

Info

ID:

85705

PubChem CID:

49878401

Reduced:

BrClSN4O6H30C32 (1)

Stoich.:

ABCD4E6F30G32 (1)

Weight, g/mol:

575.14534

ΔHf, kcal/mol:

-178.23

Dipole, Da:

7.64

IP(EA), eV:

 -8.62(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)Cl)C

DOS

IR

Vibrations