Geometry & MOs

Info

ID:	81906
PubChem CID:	49855334
Reduced:	N2O9C20H24 (1)
Stoich.:	A2B9C20D24 (1)
Weight, g/mol:	432.150112
ΔH_f, kcal/mol:	-177.88
Dipole, Da:	2.18
IP(EA), eV:	-8.5(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid;5-(dithiolan-3-yl)pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]

DOS

IR

Vibrations