Geometry & MOs

Info

ID:

168256

PubChem CID:

74940935

Reduced:

N9O10C61H71 (1)

Stoich.:

A9B10C61D71 (1)

Weight, g/mol:

511.045463

ΔHf, kcal/mol:

-192.69

Dipole, Da:

26.1

IP(EA), eV:

 -6.91(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[5-chloro-2-(7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)pyridin-3-yl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)CNC(=O)C(C)NC(=O)C(CC7=CC=C(C=C7)O)N

DOS

IR

Vibrations