Geometry & MOs

Info

ID:	38044
PubChem CID:	8026604
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	357.03644
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	6.89
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C(=N/OCC2=CC(=CC=C2)OC)/C

DOS

IR

Vibrations