Geometry & MOs

Info

ID:	315785
PubChem CID:	126628772
Reduced:	N5O6C31H43 (1)
Stoich.:	A5B6C31D43 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	17.8
Dipole, Da:	34.21
IP(EA), eV:	-4.93(-3.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-amino-4-oxo-2-(phenacylamino)butanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3=CC4=CC(=NC=C4C=C3)CCCCOCCC(=O)N[C@H](C(=O)N1)C(C)C)C

DOS

IR

Vibrations