Geometry & MOs

Info

ID:	444240
PubChem CID:	135261837
Reduced:	FOSN5H16C24 (1)
Stoich.:	ABCD5E16F24 (1)
Weight, g/mol:	638.14501
ΔH_f, kcal/mol:	121.68
Dipole, Da:	1.53
IP(EA), eV:	-8.58(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC=C(S6)F)N=C2

DOS

IR

Vibrations