Geometry & MOs

Info

ID:	425438
PubChem CID:	135126322
Reduced:	O3N6C26H34 (1)
Stoich.:	A3B6C26D34 (1)
Weight, g/mol:	487.13306
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-2-methyl-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C(C)NC2=NC=C3COC(=O)N(C3=N2)CC)N4CCN(CC4)C(=O)C=C

DOS

IR

Vibrations