Geometry & MOs

Info

ID:	200723
PubChem CID:	79431609
Reduced:	BrNSC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	375.08676
ΔH_f, kcal/mol:	18.26
Dipole, Da:	2.69
IP(EA), eV:	-9.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-tert-butyl-5-methylsulfonylpentan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(CCC1=CC=CS1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations