Geometry & MOs

Info

ID:

80825

PubChem CID:

49846356

Reduced:

ClFSO4N5C36H43 (1)

Stoich.:

ABCD4E5F36G43 (1)

Weight, g/mol:

921.365046

ΔHf, kcal/mol:

-165.84

Dipole, Da:

5.71

IP(EA), eV:

 -8.83(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[8-(4-chlorophenyl)spiro[4.5]dec-8-en-9-yl]methyl]piperazin-1-yl]-N-[4-[(4-methoxycyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

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=C(C=C(C=C6)F)Cl)CC4)C)OC

DOS

IR

Vibrations