Geometry & MOs

Info

ID:	66097
PubChem CID:	46491104
Reduced:	SN3O4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	462.07903
ΔH_f, kcal/mol:	-72.9
Dipole, Da:	4.7
IP(EA), eV:	-9.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-bromophenoxy)propanoyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)C2=CC=C(O2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations