Geometry & MOs

Info

ID:	68575
PubChem CID:	46508680
Reduced:	N2S2O4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	453.0688
ΔH_f, kcal/mol:	-122.9
Dipole, Da:	5.67
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-N-[3-(phenylcarbamoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CN(CC2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations