Geometry & MOs

Info

ID:	402381
PubChem CID:	135055776
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-180.54
Dipole, Da:	2.53
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-2,3-diamino-3-(4-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/CNC(=O)OC(C)(C)C)\C1=CC=CC=C1C

DOS

IR

Vibrations