Geometry & MOs

Info

ID:

80870

PubChem CID:

49846698

Reduced:

ClSO2N6C29H31 (1)

Stoich.:

ABC2D6E29F31 (1)

Weight, g/mol:

729.246633

ΔHf, kcal/mol:

14.52

Dipole, Da:

6.46

IP(EA), eV:

 -8.57(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(C=CC=C2N1)C(=O)N3CCC4(CCN(CC4)C5=CC=NC=C5)CC3)C(=O)C6=CC=C(S6)Cl

DOS

IR

Vibrations