Geometry & MOs

Info

ID:	200725
PubChem CID:	79431611
Reduced:	BrNSO2C16H24 (1)
Stoich.:	ABCD2E16F24 (1)
Weight, g/mol:	430.9741
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	6.63
IP(EA), eV:	-9.33(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)-3-(3-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(C1CCS(=O)(=O)C1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations