Geometry & MOs

Info

ID:	339817
PubChem CID:	127261826
Reduced:	N3O3C8H17 (1)
Stoich.:	A3B3C8D17 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-151.93
Dipole, Da:	4.88
IP(EA), eV:	-9.65(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-aminopropanoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CCO)[C@@H](C)C(=O)N)N

DOS

IR

Vibrations