Geometry & MOs

Info

ID:	61851
PubChem CID:	26714210
Reduced:	BrON2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	449.98044
ΔH_f, kcal/mol:	4.05
Dipole, Da:	3.12
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NC(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations