Geometry & MOs

Info

ID:	397282
PubChem CID:	135029993
Reduced:	Cl2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	439.214744
ΔH_f, kcal/mol:	69.9
Dipole, Da:	2.34
IP(EA), eV:	-9.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-[pentanoyl(2-phenylethynyl)amino]-1-phenylpropyl] benzoate

Drug info:

PubChemData

Smile

CC(CN1C=C(N=N1)CC2=CC=CC=C2)(C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations