Geometry & MOs

Info

ID:	60612
PubChem CID:	26697279
Reduced:	SN3O6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	3.61
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-ethylphenyl)-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations