Geometry & MOs

Info

ID:	339961
PubChem CID:	127261970
Reduced:	PN3O5C14H22 (1)
Stoich.:	AB3C5D14E22 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-265.58
Dipole, Da:	5.44
IP(EA), eV:	-9.22(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(2S)-2-aminopropanoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N([C@@H](C)P(=O)(O)O)[C@@H](CC1=CC=CC=C1)C(=O)N)N

DOS

IR

Vibrations