Geometry & MOs

Info

ID:	134830
PubChem CID:	51765664
Reduced:	FN2O2C29H47 (1)
Stoich.:	AB2C2D29E47 (1)
Weight, g/mol:	481.310456
ΔH_f, kcal/mol:	-199.9
Dipole, Da:	0.99
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1CCCCC1)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations