Geometry & MOs

Info

ID:

185438

PubChem CID:

77300349

Reduced:

BrN2F3O4H18C21 (1)

Stoich.:

AB2C3D4E18F21 (1)

Weight, g/mol:

840.330519

ΔHf, kcal/mol:

-234.84

Dipole, Da:

3.17

IP(EA), eV:

 -9.67(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-4aH-quinolin-5-yl)ethyl]amino]-2-methylpropyl]-N-methylanilino]methyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(CC2=CC(=CC=C2)C(F)(F)F)NC(=O)O)C3=C(C=C(C=C3)Br)OC

DOS

IR

Vibrations