Geometry & MOs

Info

ID:	156629
PubChem CID:	56371417
Reduced:	OSN3C19H29 (1)
Stoich.:	ABC3D19E29 (1)
Weight, g/mol:	458.98098
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	5.74
IP(EA), eV:	-8.6(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-N-(4-methylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCCCOC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations