Geometry & MOs

Info

ID:	158438
PubChem CID:	56463644
Reduced:	ClSN4O4C22H29 (1)
Stoich.:	ABC4D4E22F29 (1)
Weight, g/mol:	410.98098
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	4.4
IP(EA), eV:	-9.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfonyl]-N-(2-ethylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C)Cl

DOS

IR

Vibrations