Geometry & MOs

Info

ID:

161775

PubChem CID:

57392613

Reduced:

ClSN2O2H19C20 (1)

Stoich.:

ABC2D2E19F20 (1)

Weight, g/mol:

653.250177

ΔHf, kcal/mol:

74.73

Dipole, Da:

8.54

IP(EA), eV:

 -8.42(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,3'S)-N-[[2-chloro-3-[4-(methanesulfonamido)butyl]-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C3CCC(C2)N3)C4=C1C=CC(=C4)S(=O)(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations