Geometry & MOs

Info

ID:

80824

PubChem CID:

49846355

Reduced:

S2O4N7C32H41 (1)

Stoich.:

A2B4C7D32E41 (1)

Weight, g/mol:

695.270832

ΔHf, kcal/mol:

-67.07

Dipole, Da:

7.26

IP(EA), eV:

 -9.08(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N(C)C(C)C2=NC3=C(C=CC=C3N2)C(=O)N4CCC5(CCN(CC5)CC6=CSN=N6)CC4)C)OC

DOS

IR

Vibrations