Geometry & MOs

Info

ID:	339540
PubChem CID:	127261530
Reduced:	OSN4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	757.596887
ΔH_f, kcal/mol:	14.54
Dipole, Da:	4.24
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(hexadecanoylamino)-3-[hexadecanoyl(phenylmethoxycarbonyl)amino]propan-2-yl] 2-aminoacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN(C(=O)CN)C(=S)N

DOS

IR

Vibrations