Geometry & MOs

Info

ID:	302857
PubChem CID:	124397611
Reduced:	O2N3H23C32 (1)
Stoich.:	A2B3C23D32 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	113.43
Dipole, Da:	6.13
IP(EA), eV:	-8.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(naphthalen-2-ylamino)butanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@@H](N3[C@@H](C2(C#N)C#N)C=CC4=C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations