Geometry & MOs

Info

ID:	200724
PubChem CID:	79431610
Reduced:	BrNSO2C16H26 (1)
Stoich.:	ABCD2E16F26 (1)
Weight, g/mol:	373.07111
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	5.21
IP(EA), eV:	-8.8(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(CCCS(=O)(=O)C)C1=CC=C(C=C1)Br

DOS

IR

Vibrations