Geometry & MOs

Info

ID:	49773
PubChem CID:	11533795
Reduced:	FNO2C29H33 (1)
Stoich.:	ABC2D29E33 (1)
Weight, g/mol:	527.278407
ΔH_f, kcal/mol:	-35.35
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754128
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylphenyl)ethyl]-3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC(=CC=C5)F

DOS

IR

Vibrations