Geometry & MOs

Info

ID:	66062
PubChem CID:	46490934
Reduced:	S2N3O5C21H21 (1)
Stoich.:	A2B3C5D21E21 (1)
Weight, g/mol:	472.13616
ΔH_f, kcal/mol:	-105.83
Dipole, Da:	5.74
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[4-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations