Geometry & MOs

Info

ID:	328423
PubChem CID:	126722979
Reduced:	FN3O3C33H38 (1)
Stoich.:	AB3C3D33E38 (1)
Weight, g/mol:	317.238851
ΔH_f, kcal/mol:	-129.63
Dipole, Da:	7.88
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 11-(2-aminoethylsulfanyl)undecanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)N(CC2=CC=C(C=C2)C(=O)C)C(=O)[C@@H]3CC4=CC=CC=C4CN3C(=O)[C@H](C(C)(C)C)N

DOS

IR

Vibrations