Geometry & MOs

Info

ID:

436480

PubChem CID:

135203742

Reduced:

F4O5N6H26C28 (1)

Stoich.:

A4B5C6D26E28 (1)

Weight, g/mol:

671.263151

ΔHf, kcal/mol:

-332.52

Dipole, Da:

4.02

IP(EA), eV:

 -9.37(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[3-[[4-[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxyphenyl]phenyl]methoxy]phenyl]-phenylmethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)C3(CC(C4=C3C=CC(=C4)C5=CN(N=C5)CC(=O)N)O)NC2=O

DOS

IR

Vibrations