Geometry & MOs

Info

ID:

168745

PubChem CID:

75013314

Reduced:

S2O11N12C50H68 (1)

Stoich.:

A2B11C12D50E68 (1)

Weight, g/mol:

416.213364

ΔHf, kcal/mol:

-441.28

Dipole, Da:

13.69

IP(EA), eV:

 -8.9(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC(C(C(=O)N)NC(=O)C(CSCNC(=O)C)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C(CSCNC(=O)C)NC(=O)C(CC4=CC=CC=C4)N)O

DOS

IR

Vibrations