Geometry & MOs

Info

ID:	230995
PubChem CID:	87572416
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	384.298808
ΔH_f, kcal/mol:	2.72
Dipole, Da:	4.35
IP(EA), eV:	-8.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-5-amino-5-oxo-2-(tetradecanoylamino)pentanoate

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC4=CC=CC=C43)Cl)OC

DOS

IR

Vibrations