Geometry & MOs

Info

ID:	424184
PubChem CID:	135121660
Reduced:	BrNOSC35H46 (1)
Stoich.:	ABCDE35F46 (1)
Weight, g/mol:	129.929404
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	1.8
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCCCCCCCCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

DOS

IR

Vibrations