Geometry & MOs

Info

ID:	134832
PubChem CID:	51765884
Reduced:	FO2N3C29H40 (1)
Stoich.:	AB2C3D29E40 (1)
Weight, g/mol:	511.357406
ΔH_f, kcal/mol:	-130.26
Dipole, Da:	2.48
IP(EA), eV:	-8.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[4-(dimethylamino)phenyl]-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=C(C=C1)N(C)C)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations