Geometry & MOs

Info

ID:	397071
PubChem CID:	135029681
Reduced:	O5C35H38 (1)
Stoich.:	A5B35C38 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	2.42
IP(EA), eV:	-9.27(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[pentanoyl(2-thiophen-2-ylethynyl)amino]ethyl benzoate

Drug info:

PubChemData

Smile

CC1C(C([C@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations