Geometry & MOs

Info

ID:	268813
PubChem CID:	103601061
Reduced:	BrNSO2C15H24 (1)
Stoich.:	ABCD2E15F24 (1)
Weight, g/mol:	295.070071
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	4.53
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonyl)ethyl]-1-thiophen-2-ylethanamine

Drug info:

PubChemData

Smile

CC(C)CCC(C)NCCS(=O)(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations