Geometry & MOs

Info

ID:	63849
PubChem CID:	26759316
Reduced:	SN2O6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	438.02489
ΔH_f, kcal/mol:	-179.9
Dipole, Da:	10.14
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations