Geometry & MOs

Info

ID:	339964
PubChem CID:	127261973
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-63.23
Dipole, Da:	3.47
IP(EA), eV:	-9.28(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(2S)-2-amino-3-phenylpropanoyl]amino]ethanesulfonic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(CC1=CC=CC=C1)[C@@H](CC2=CC=CC=C2)C(=O)N)N

DOS

IR

Vibrations