Geometry & MOs

Info

ID:	60557
PubChem CID:	26697187
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-128.07
Dipole, Da:	5.53
IP(EA), eV:	-8.49(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations