Geometry & MOs

Info

ID:

80869

PubChem CID:

49846697

Reduced:

SO3N6C33H42 (1)

Stoich.:

AB3C6D33E42 (1)

Weight, g/mol:

562.191773

ΔHf, kcal/mol:

-60.08

Dipole, Da:

7.04

IP(EA), eV:

 -8.61(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-N-methyl-N-[[4-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1H-benzimidazol-2-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N(C)CC2=NC3=C(C=CC=C3N2)CN4CCC5(CC4)CCN(CC5)C6=CC=NC=C6)C)OC

DOS

IR

Vibrations