Geometry & MOs

Info

ID:	174580
PubChem CID:	75788160
Reduced:	NSO4C25H29 (1)
Stoich.:	ABC4D25E29 (1)
Weight, g/mol:	461.02964
ΔH_f, kcal/mol:	-125.08
Dipole, Da:	5.06
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N(CC3=CC=C(C=C3)C(C)(C)C)C4CCS(=O)(=O)C4

DOS

IR

Vibrations