Geometry & MOs

Info

ID:	200767
PubChem CID:	79440785
Reduced:	ClSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	388.92715
ΔH_f, kcal/mol:	-172.25
Dipole, Da:	8.25
IP(EA), eV:	-9.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCC(C1=CC(=CC=C1)Cl)C(=O)O

DOS

IR

Vibrations