Geometry & MOs

Info

ID:	339811
PubChem CID:	127261820
Reduced:	N5O5C15H21 (1)
Stoich.:	A5B5C15D21 (1)
Weight, g/mol:	286.200491
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	8.82
IP(EA), eV:	-9.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-butylamino]-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](C)C(=O)N)N

DOS

IR

Vibrations