Geometry & MOs

Info

ID:

214494

PubChem CID:

85083122

Reduced:

FNSO7C27H40 (1)

Stoich.:

ABCD7E27F40 (1)

Weight, g/mol:

541.333814

ΔHf, kcal/mol:

-338.17

Dipole, Da:

4.08

IP(EA), eV:

 -9.32(-1.03)

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]heptanyl]-3-piperidin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCC1C(C(CCCC2(C(O2)CC(OC(=O)CC(C(C1=O)(C)C)O)C(=CC3=CSC(=N3)CO)F)C)C)O

DOS

IR

Vibrations