Geometry & MOs

Info

ID:	173984
PubChem CID:	75708900
Reduced:	FSO2N3H19C24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	486.18819
ΔH_f, kcal/mol:	-17.58
Dipole, Da:	7.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056942
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromophenyl)acetyl]-hexylamino]-N-butyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C)C(=NC2=S)[O-]

DOS

IR

Vibrations