Geometry & MOs

Info

ID:	156483
PubChem CID:	56370791
Reduced:	BrSO5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	435.05038
ΔH_f, kcal/mol:	-203.56
Dipole, Da:	4.92
IP(EA), eV:	-9.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-N-[(1-phenylcyclopropyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCC1CCCCO1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations