Geometry & MOs

Info

ID:

436478

PubChem CID:

135203633

Reduced:

N3O4C20H20 (2)

Stoich.:

A3B4C20D20 (2)

Weight, g/mol:

671.263151

ΔHf, kcal/mol:

-192.04

Dipole, Da:

11.57

IP(EA), eV:

 -8.6(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NCC2=CC(=C(C=C2)CNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)OC)COC5=CC=CC(=C5)[C@H](C6=CC=CC=C6)NC(=O)O

DOS

IR

Vibrations