Geometry & MOs

Info

ID:	444975
PubChem CID:	135264142
Reduced:	N2O7C25H30 (1)
Stoich.:	A2B7C25D30 (1)
Weight, g/mol:	342.288243
ΔH_f, kcal/mol:	-256.01
Dipole, Da:	2.3
IP(EA), eV:	-9.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentadecan-8-yl (2S)-2,4-diamino-4-oxobutanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2COC(=O)C3CCCN3)OC(=O)[C@H](CC4=CC=CC=C4)N

DOS

IR

Vibrations