Geometry & MOs

Info

ID:

426553

PubChem CID:

135146858

Reduced:

ClO5N8C39H47 (1)

Stoich.:

AB5C8D39E47 (1)

Weight, g/mol:

454.97508

ΔHf, kcal/mol:

-153.8

Dipole, Da:

2.81

IP(EA), eV:

 -8.63(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]prop-2-ene-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCN(C3)C4CCOCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations