Geometry & MOs

Info

ID:	444841
PubChem CID:	135263707
Reduced:	BrSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	714.17631
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	1.72
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[4-[[2-(4-bromophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S[C@H](C=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations