Geometry & MOs

Info

ID:	231137
PubChem CID:	87572738
Reduced:	ClN4O4H11C14 (1)
Stoich.:	AB4C4D11E14 (1)
Weight, g/mol:	426.345758
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	8.8
IP(EA), eV:	-9.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-amino-5-(hexadecanoylamino)-5-oxopentanoate

Drug info:

PubChemData

Smile

C1C2C(C(C1C(=O)C2=O)NC3=NC(=NC4=C3OC=C4)Cl)C(=O)N

DOS

IR

Vibrations