Geometry & MOs

Info

ID:	143581
PubChem CID:	53229937
Reduced:	NC11H11 (1)
Stoich.:	AB11C11 (1)
Weight, g/mol:	585.12632
ΔH_f, kcal/mol:	58.64
Dipole, Da:	3.47
IP(EA), eV:	-9.44(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-2-[2-(4-bromoanilino)-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

[C-]#[N+][C@@H]1CCCC2=CC=CC=C12

DOS

IR

Vibrations