Geometry & MOs

Info

ID:	242861
PubChem CID:	99213414
Reduced:	BrNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	442.08921
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	2.35
IP(EA), eV:	-9.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-ethylamino]-1-oxopropan-2-yl]-4-bromobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations