Geometry & MOs

Info

ID:	339827
PubChem CID:	127261836
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	287.148121
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	3.56
IP(EA), eV:	-9.07(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-ethylamino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N(CCCCC1=CC=CC=C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations