Geometry & MOs

Info

ID:	146399
PubChem CID:	53682225
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	343.149183
ΔH_f, kcal/mol:	-135.9
Dipole, Da:	2.67
IP(EA), eV:	-8.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxybutanoyl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCOC1=CC=C(C=C1)C=NOCC

DOS

IR

Vibrations