Geometry & MOs

Info

ID:

80815

PubChem CID:

49846188

Reduced:

NaSF2O3N5H22C26 (1)

Stoich.:

ABC2D3E5F22G26 (1)

Weight, g/mol:

679.300382

ΔHf, kcal/mol:

-131.18

Dipole, Da:

16.93

IP(EA), eV:

 -8.91(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[9-[(2,5-difluorophenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-1H-benzimidazol-2-yl]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(S1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCCCC(=O)[O-].[Na+]

DOS

IR

Vibrations