Geometry & MOs

Info

ID:	446864
PubChem CID:	135278352
Reduced:	NSO3H25C26 (1)
Stoich.:	ABC3D25E26 (1)
Weight, g/mol:	674.13377
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	1.22
IP(EA), eV:	-8.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[4-[[2-(4-bromophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenoxy]propoxy]propoxy]propanal

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OC5CCNCC5

DOS

IR

Vibrations