Geometry & MOs

Info

ID:	339846
PubChem CID:	127261855
Reduced:	NF3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	281.114234
ΔH_f, kcal/mol:	-305.67
Dipole, Da:	4.52
IP(EA), eV:	-10.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoate;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)[C@](C1=CC=CC=C1)(C(F)(F)F)OC

DOS

IR

Vibrations