Geometry & MOs

Info

ID:	277664
PubChem CID:	103830244
Reduced:	NSO2C12H27 (1)
Stoich.:	ABC2D12E27 (1)
Weight, g/mol:	345.03981
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	4.85
IP(EA), eV:	-9.08(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N-(cyclopentylmethyl)ethanamine

Drug info:

PubChemData

Smile

CC(C)CC(C)NCCS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations