Geometry & MOs

Info

ID:	43143
PubChem CID:	10318910
Reduced:	IN2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	402.138678
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	6.32
IP(EA), eV:	-7.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one

Drug info:

PubChemData

Smile

CCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[I-]

DOS

IR

Vibrations