Geometry & MOs

Info

ID:

80408

PubChem CID:

49834326

Reduced:

NSF2O7H35C36 (1)

Stoich.:

ABC2D7E35F36 (1)

Weight, g/mol:

432.10486

ΔHf, kcal/mol:

-302.94

Dipole, Da:

8.79

IP(EA), eV:

 -9.09(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-N-(4-bromophenyl)-2-N-(3-methoxypropyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3([C@H]([C@@H]1CCC2(C(=O)OCC#N)OC(=O)C4=CC=C(C=C4)CSC5=CC=C(C=C5)O)C[C@@H](C6=CC(=O)C=C[C@@]63C)F)F)O

DOS

IR

Vibrations